5,21-diethoxy-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-13-amine

C26H26NO4P — CID 135010391

IUPAC5,21-diethoxy-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-13-amine
SMILESCCOc1ccc2ccc3op(N(C)C)oc4ccc5ccc(OCC)cc5c4c3c2c1
InChIInChI=1S/C26H26NO4P/c1-5-28-19-11-7-17-9-13-23-25(21(17)15-19)26-22-16-20(29-6-2)12-8-18(22)10-14-24(26)31-32(30-23)27(3)4/h7-16H,5-6H2,1-4H3
InChIKeyMUOOMYYQUHNSLD-UHFFFAOYSA-N
MW447.47 g/mol
LogP7.59
Rot. Bonds5

About 5,21-diethoxy-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-13-amine

5,21-diethoxy-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-13-amine (PubChem CID 135010391) has the molecular formula C26H26NO4P and a molecular weight of 447.47 g/mol. Its IUPAC name is 5,21-diethoxy-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-13-amine.

Molecular Properties

Compound Name5,21-diethoxy-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-13-amine
PubChem CID135010391
Molecular FormulaC26H26NO4P
Molecular Weight447.47 g/mol
Exact Mass447.16
IUPAC Name5,21-diethoxy-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-13-amine
SMILESCCOc1ccc2ccc3op(N(C)C)oc4ccc5ccc(OCC)cc5c4c3c2c1
InChIInChI=1S/C26H26NO4P/c1-5-28-19-11-7-17-9-13-23-25(21(17)15-19)26-22-16-20(29-6-2)12-8-18(22)10-14-24(26)31-32(30-23)27(3)4/h7-16H,5-6H2,1-4H3
InChIKeyMUOOMYYQUHNSLD-UHFFFAOYSA-N
XLogP7.59
TPSA47.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.47
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,21-diethoxy-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-13-amine with MolForge

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Related Compounds

13-hydroxy-5,21-dimethoxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene
CID 90965651
2,6-diethoxyanthracene
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6-ethoxy-4-[(4-ethoxy-N-methylanilino)methyl]chromen-2-one
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5-ethoxy-2-methyl-1-benzofuran
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1,7-diethoxynaphthalene
CID 13359547
2-ethoxynaphthalene
CID 118978197
7-ethoxy-3-N,3-N,9-N,9-N-tetramethylacridine-3,9-diamine
CID 169281625
3-amino-9-ethoxy-2H-benzo[f]quinazolin-1-one
CID 135838153
5-ethoxy-3-methoxy-1-benzofuran-2-ol
CID 150105787
4-ethoxy-N,N-dimethylaniline
CID 3624890
2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid
CID 84679537
2-ethoxyxanthen-9-one
CID 14150405

Frequently Asked Questions

What is the IUPAC name of 5,21-diethoxy-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-13-amine?
The IUPAC name of 5,21-diethoxy-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-13-amine (CID 135010391) is 5,21-diethoxy-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-13-amine.
What is the SMILES notation for 5,21-diethoxy-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-13-amine?
The canonical SMILES for 5,21-diethoxy-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-13-amine is CCOc1ccc2ccc3op(N(C)C)oc4ccc5ccc(OCC)cc5c4c3c2c1.
What is the InChIKey of 5,21-diethoxy-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-13-amine?
The InChIKey is MUOOMYYQUHNSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26NO4P/c1-5-28-19-11-7-17-9-13-23-25(21(17)15-19)26-22-16-20(29-6-2)12-8-18(22)10-14-24(26)31-32(30-23)27(3)4/h7-16H,5-6H2,1-4H3.
What are the key properties of 5,21-diethoxy-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-13-amine?
5,21-diethoxy-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-13-amine has a molecular weight of 447.47 g/mol, XLogP of 7.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,21-diethoxy-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-13-amine is sourced from PubChem (CID 135010391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).