10-methyl-15-propan-2-yl-12,19-dioxa-23-azahexacyclo[11.10.1.02,11.04,9.017,24.018,22]tetracosa-1(23),2,4,6,8,10,13,15,17(24),18(22),20-undecaene

C25H19NO2 — CID 172520364

IUPAC10-methyl-15-propan-2-yl-12,19-dioxa-23-azahexacyclo[11.10.1.02,11.04,9.017,24.018,22]tetracosa-1(23),2,4,6,8,10,13,15,17(24),18(22),20-undecaene
SMILESCc1c2c(cc3ccccc13)-c1nc3ccoc3c3cc(C(C)C)cc(c13)O2
InChIInChI=1S/C25H19NO2/c1-13(2)16-11-18-22-21(12-16)28-24-14(3)17-7-5-4-6-15(17)10-19(24)23(22)26-20-8-9-27-25(18)20/h4-13H,1-3H3
InChIKeyUNAXKLZDZULIBW-UHFFFAOYSA-N
MW365.43 g/mol
LogP7.34
Rot. Bonds1

About 10-methyl-15-propan-2-yl-12,19-dioxa-23-azahexacyclo[11.10.1.02,11.04,9.017,24.018,22]tetracosa-1(23),2,4,6,8,10,13,15,17(24),18(22),20-undecaene

10-methyl-15-propan-2-yl-12,19-dioxa-23-azahexacyclo[11.10.1.02,11.04,9.017,24.018,22]tetracosa-1(23),2,4,6,8,10,13,15,17(24),18(22),20-undecaene (PubChem CID 172520364) has the molecular formula C25H19NO2 and a molecular weight of 365.43 g/mol. Its IUPAC name is 10-methyl-15-propan-2-yl-12,19-dioxa-23-azahexacyclo[11.10.1.02,11.04,9.017,24.018,22]tetracosa-1(23),2,4,6,8,10,13,15,17(24),18(22),20-undecaene.

Molecular Properties

Compound Name10-methyl-15-propan-2-yl-12,19-dioxa-23-azahexacyclo[11.10.1.02,11.04,9.017,24.018,22]tetracosa-1(23),2,4,6,8,10,13,15,17(24),18(22),20-undecaene
PubChem CID172520364
Molecular FormulaC25H19NO2
Molecular Weight365.43 g/mol
Exact Mass365.14
IUPAC Name10-methyl-15-propan-2-yl-12,19-dioxa-23-azahexacyclo[11.10.1.02,11.04,9.017,24.018,22]tetracosa-1(23),2,4,6,8,10,13,15,17(24),18(22),20-undecaene
SMILESCc1c2c(cc3ccccc13)-c1nc3ccoc3c3cc(C(C)C)cc(c13)O2
InChIInChI=1S/C25H19NO2/c1-13(2)16-11-18-22-21(12-16)28-24-14(3)17-7-5-4-6-15(17)10-19(24)23(22)26-20-8-9-27-25(18)20/h4-13H,1-3H3
InChIKeyUNAXKLZDZULIBW-UHFFFAOYSA-N
XLogP7.34
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-methyl-15-propan-2-yl-12,19-dioxa-23-azahexacyclo[11.10.1.02,11.04,9.017,24.018,22]tetracosa-1(23),2,4,6,8,10,13,15,17(24),18(22),20-undecaene with MolForge

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Related Compounds

N,N,3,20-tetramethyl-15-propan-2-yl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-10-amine
CID 164723072
trimethyl-(10-methyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)germane
CID 176607029
8,10-dimethyl-15-(3-methylbutan-2-yl)-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
CID 176881011
4-(3-methylnaphthalen-2-yl)furo[3,2-c]quinoline
CID 166570056
3,24-dimethyl-10,18-di(propan-2-yl)-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaene
CID 168732264
13-oxo-N-[13-oxo-10,16-bis[2,4,6-tri(propan-2-yl)phenyl]-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl]-10,16-bis[2,4,6-tri(propan-2-yl)phenyl]-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
CID 170534791
7-methylbenzo[a]anthracene-5,6-dione
CID 176653825
5-methyl-4-propan-2-ylbenzo[g]quinoline
CID 168983868
10-(2,2-dimethylpropyl)-3,19,20-trimethyl-15-propan-2-yl-12-oxa-3-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
CID 166053340
10,14-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-one
CID 118473639
gold(1+);13-oxido-10,16-bis[2,4,6-tri(propan-2-yl)phenyl]-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide;tritert-butylphosphane
CID 71474775
[10-(2,2-dimethylpropyl)-15-methyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-16-yl]-trimethylgermane
CID 176607021

Frequently Asked Questions

What is the IUPAC name of 10-methyl-15-propan-2-yl-12,19-dioxa-23-azahexacyclo[11.10.1.02,11.04,9.017,24.018,22]tetracosa-1(23),2,4,6,8,10,13,15,17(24),18(22),20-undecaene?
The IUPAC name of 10-methyl-15-propan-2-yl-12,19-dioxa-23-azahexacyclo[11.10.1.02,11.04,9.017,24.018,22]tetracosa-1(23),2,4,6,8,10,13,15,17(24),18(22),20-undecaene (CID 172520364) is 10-methyl-15-propan-2-yl-12,19-dioxa-23-azahexacyclo[11.10.1.02,11.04,9.017,24.018,22]tetracosa-1(23),2,4,6,8,10,13,15,17(24),18(22),20-undecaene.
What is the SMILES notation for 10-methyl-15-propan-2-yl-12,19-dioxa-23-azahexacyclo[11.10.1.02,11.04,9.017,24.018,22]tetracosa-1(23),2,4,6,8,10,13,15,17(24),18(22),20-undecaene?
The canonical SMILES for 10-methyl-15-propan-2-yl-12,19-dioxa-23-azahexacyclo[11.10.1.02,11.04,9.017,24.018,22]tetracosa-1(23),2,4,6,8,10,13,15,17(24),18(22),20-undecaene is Cc1c2c(cc3ccccc13)-c1nc3ccoc3c3cc(C(C)C)cc(c13)O2.
What is the InChIKey of 10-methyl-15-propan-2-yl-12,19-dioxa-23-azahexacyclo[11.10.1.02,11.04,9.017,24.018,22]tetracosa-1(23),2,4,6,8,10,13,15,17(24),18(22),20-undecaene?
The InChIKey is UNAXKLZDZULIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO2/c1-13(2)16-11-18-22-21(12-16)28-24-14(3)17-7-5-4-6-15(17)10-19(24)23(22)26-20-8-9-27-25(18)20/h4-13H,1-3H3.
What are the key properties of 10-methyl-15-propan-2-yl-12,19-dioxa-23-azahexacyclo[11.10.1.02,11.04,9.017,24.018,22]tetracosa-1(23),2,4,6,8,10,13,15,17(24),18(22),20-undecaene?
10-methyl-15-propan-2-yl-12,19-dioxa-23-azahexacyclo[11.10.1.02,11.04,9.017,24.018,22]tetracosa-1(23),2,4,6,8,10,13,15,17(24),18(22),20-undecaene has a molecular weight of 365.43 g/mol, XLogP of 7.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-15-propan-2-yl-12,19-dioxa-23-azahexacyclo[11.10.1.02,11.04,9.017,24.018,22]tetracosa-1(23),2,4,6,8,10,13,15,17(24),18(22),20-undecaene is sourced from PubChem (CID 172520364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).