12-(cyclopropylmethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,10-dihydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-12-carboxamide

C28H41N3O4 — CID 118198030

IUPAC12-(cyclopropylmethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,10-dihydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-12-carboxamide
SMILESCC1CN(CCNC(=O)C2(CC3CC3)CC34CCNC(Cc5ccc(O)cc53)C4(O)C2)CC(C)O1
InChIInChI=1S/C28H41N3O4/c1-18-14-31(15-19(2)35-18)10-9-30-25(33)26(13-20-3-4-20)16-27-7-8-29-24(28(27,34)17-26)11-21-5-6-22(32)12-23(21)27/h5-6,12,18-20,24,29,32,34H,3-4,7-11,13-17H2,1-2H3,(H,30,33)
InChIKeyHKVUCIFFTZTTCR-UHFFFAOYSA-N
MW483.65 g/mol
LogP2.08
Rot. Bonds6

About 12-(cyclopropylmethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,10-dihydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-12-carboxamide

12-(cyclopropylmethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,10-dihydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-12-carboxamide (PubChem CID 118198030) has the molecular formula C28H41N3O4 and a molecular weight of 483.65 g/mol. Its IUPAC name is 12-(cyclopropylmethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,10-dihydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-12-carboxamide.

Molecular Properties

Compound Name12-(cyclopropylmethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,10-dihydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-12-carboxamide
PubChem CID118198030
Molecular FormulaC28H41N3O4
Molecular Weight483.65 g/mol
Exact Mass483.31
IUPAC Name12-(cyclopropylmethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,10-dihydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-12-carboxamide
SMILESCC1CN(CCNC(=O)C2(CC3CC3)CC34CCNC(Cc5ccc(O)cc53)C4(O)C2)CC(C)O1
InChIInChI=1S/C28H41N3O4/c1-18-14-31(15-19(2)35-18)10-9-30-25(33)26(13-20-3-4-20)16-27-7-8-29-24(28(27,34)17-26)11-21-5-6-22(32)12-23(21)27/h5-6,12,18-20,24,29,32,34H,3-4,7-11,13-17H2,1-2H3,(H,30,33)
InChIKeyHKVUCIFFTZTTCR-UHFFFAOYSA-N
XLogP2.08
TPSA94.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.65
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 12-(cyclopropylmethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,10-dihydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-12-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-(cyclopropylmethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,10-dihydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-12-carboxamide?
The IUPAC name of 12-(cyclopropylmethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,10-dihydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-12-carboxamide (CID 118198030) is 12-(cyclopropylmethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,10-dihydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-12-carboxamide.
What is the SMILES notation for 12-(cyclopropylmethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,10-dihydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-12-carboxamide?
The canonical SMILES for 12-(cyclopropylmethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,10-dihydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-12-carboxamide is CC1CN(CCNC(=O)C2(CC3CC3)CC34CCNC(Cc5ccc(O)cc53)C4(O)C2)CC(C)O1.
What is the InChIKey of 12-(cyclopropylmethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,10-dihydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-12-carboxamide?
The InChIKey is HKVUCIFFTZTTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3O4/c1-18-14-31(15-19(2)35-18)10-9-30-25(33)26(13-20-3-4-20)16-27-7-8-29-24(28(27,34)17-26)11-21-5-6-22(32)12-23(21)27/h5-6,12,18-20,24,29,32,34H,3-4,7-11,13-17H2,1-2H3,(H,30,33).
What are the key properties of 12-(cyclopropylmethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,10-dihydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-12-carboxamide?
12-(cyclopropylmethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,10-dihydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-12-carboxamide has a molecular weight of 483.65 g/mol, XLogP of 2.08, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(cyclopropylmethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,10-dihydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-12-carboxamide is sourced from PubChem (CID 118198030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).