(7S,10S,13S)-N-cyclopentyl-13-(dimethylamino)-10-(2-morpholin-4-ylethyl)-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(18),15(19),16-triene-7-carboxamide

C30H47N5O5 — CID 138550558

IUPAC(7S,10S,13S)-N-cyclopentyl-13-(dimethylamino)-10-(2-morpholin-4-ylethyl)-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(18),15(19),16-triene-7-carboxamide
SMILESCN(C)[C@H]1Cc2cccc(c2)OCCCC[C@@H](C(=O)NC2CCCC2)NC(=O)[C@H](CCN2CCOCC2)NC1=O
InChIInChI=1S/C30H47N5O5/c1-34(2)27-21-22-8-7-11-24(20-22)40-17-6-5-12-25(28(36)31-23-9-3-4-10-23)32-29(37)26(33-30(27)38)13-14-35-15-18-39-19-16-35/h7-8,11,20,23,25-27H,3-6,9-10,12-19,21H2,1-2H3,(H,31,36)(H,32,37)(H,33,38)/t25-,26-,27-/m0/s1
InChIKeyDCCSKCKYZIBFQY-QKDODKLFSA-N
MW557.74 g/mol
LogP1.47
Rot. Bonds6

About (7S,10S,13S)-N-cyclopentyl-13-(dimethylamino)-10-(2-morpholin-4-ylethyl)-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(18),15(19),16-triene-7-carboxamide

(7S,10S,13S)-N-cyclopentyl-13-(dimethylamino)-10-(2-morpholin-4-ylethyl)-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(18),15(19),16-triene-7-carboxamide (PubChem CID 138550558) has the molecular formula C30H47N5O5 and a molecular weight of 557.74 g/mol. Its IUPAC name is (7S,10S,13S)-N-cyclopentyl-13-(dimethylamino)-10-(2-morpholin-4-ylethyl)-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(18),15(19),16-triene-7-carboxamide.

Molecular Properties

Compound Name(7S,10S,13S)-N-cyclopentyl-13-(dimethylamino)-10-(2-morpholin-4-ylethyl)-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(18),15(19),16-triene-7-carboxamide
PubChem CID138550558
Molecular FormulaC30H47N5O5
Molecular Weight557.74 g/mol
Exact Mass557.36
IUPAC Name(7S,10S,13S)-N-cyclopentyl-13-(dimethylamino)-10-(2-morpholin-4-ylethyl)-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(18),15(19),16-triene-7-carboxamide
SMILESCN(C)[C@H]1Cc2cccc(c2)OCCCC[C@@H](C(=O)NC2CCCC2)NC(=O)[C@H](CCN2CCOCC2)NC1=O
InChIInChI=1S/C30H47N5O5/c1-34(2)27-21-22-8-7-11-24(20-22)40-17-6-5-12-25(28(36)31-23-9-3-4-10-23)32-29(37)26(33-30(27)38)13-14-35-15-18-39-19-16-35/h7-8,11,20,23,25-27H,3-6,9-10,12-19,21H2,1-2H3,(H,31,36)(H,32,37)(H,33,38)/t25-,26-,27-/m0/s1
InChIKeyDCCSKCKYZIBFQY-QKDODKLFSA-N
XLogP1.47
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.74
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (7S,10S,13S)-N-cyclopentyl-13-(dimethylamino)-10-(2-morpholin-4-ylethyl)-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(18),15(19),16-triene-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S,10S,13S)-N-cyclopentyl-13-(dimethylamino)-10-(2-morpholin-4-ylethyl)-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(18),15(19),16-triene-7-carboxamide?
The IUPAC name of (7S,10S,13S)-N-cyclopentyl-13-(dimethylamino)-10-(2-morpholin-4-ylethyl)-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(18),15(19),16-triene-7-carboxamide (CID 138550558) is (7S,10S,13S)-N-cyclopentyl-13-(dimethylamino)-10-(2-morpholin-4-ylethyl)-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(18),15(19),16-triene-7-carboxamide.
What is the SMILES notation for (7S,10S,13S)-N-cyclopentyl-13-(dimethylamino)-10-(2-morpholin-4-ylethyl)-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(18),15(19),16-triene-7-carboxamide?
The canonical SMILES for (7S,10S,13S)-N-cyclopentyl-13-(dimethylamino)-10-(2-morpholin-4-ylethyl)-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(18),15(19),16-triene-7-carboxamide is CN(C)[C@H]1Cc2cccc(c2)OCCCC[C@@H](C(=O)NC2CCCC2)NC(=O)[C@H](CCN2CCOCC2)NC1=O.
What is the InChIKey of (7S,10S,13S)-N-cyclopentyl-13-(dimethylamino)-10-(2-morpholin-4-ylethyl)-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(18),15(19),16-triene-7-carboxamide?
The InChIKey is DCCSKCKYZIBFQY-QKDODKLFSA-N. The full InChI is InChI=1S/C30H47N5O5/c1-34(2)27-21-22-8-7-11-24(20-22)40-17-6-5-12-25(28(36)31-23-9-3-4-10-23)32-29(37)26(33-30(27)38)13-14-35-15-18-39-19-16-35/h7-8,11,20,23,25-27H,3-6,9-10,12-19,21H2,1-2H3,(H,31,36)(H,32,37)(H,33,38)/t25-,26-,27-/m0/s1.
What are the key properties of (7S,10S,13S)-N-cyclopentyl-13-(dimethylamino)-10-(2-morpholin-4-ylethyl)-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(18),15(19),16-triene-7-carboxamide?
(7S,10S,13S)-N-cyclopentyl-13-(dimethylamino)-10-(2-morpholin-4-ylethyl)-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(18),15(19),16-triene-7-carboxamide has a molecular weight of 557.74 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,10S,13S)-N-cyclopentyl-13-(dimethylamino)-10-(2-morpholin-4-ylethyl)-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(18),15(19),16-triene-7-carboxamide is sourced from PubChem (CID 138550558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).