N-(2-amino-2-oxoethyl)-N-cyclopentyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C16H27N3O2 — CID 60946342

IUPACN-(2-amino-2-oxoethyl)-N-cyclopentyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESNC(=O)CN(C(=O)C1CC2CCCCC2N1)C1CCCC1
InChIInChI=1S/C16H27N3O2/c17-15(20)10-19(12-6-2-3-7-12)16(21)14-9-11-5-1-4-8-13(11)18-14/h11-14,18H,1-10H2,(H2,17,20)
InChIKeyPSCQTQWFDPDTST-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.16
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-N-cyclopentyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-(2-amino-2-oxoethyl)-N-cyclopentyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 60946342) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-cyclopentyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-cyclopentyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID60946342
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-(2-amino-2-oxoethyl)-N-cyclopentyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESNC(=O)CN(C(=O)C1CC2CCCCC2N1)C1CCCC1
InChIInChI=1S/C16H27N3O2/c17-15(20)10-19(12-6-2-3-7-12)16(21)14-9-11-5-1-4-8-13(11)18-14/h11-14,18H,1-10H2,(H2,17,20)
InChIKeyPSCQTQWFDPDTST-UHFFFAOYSA-N
XLogP1.16
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-oxoethyl)-N-cyclopentyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-N-(2-hydroxyethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43579594
N-(2-amino-2-oxoethyl)-N-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 60947996
(2S)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 57059151
(2S,3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 124506458
(2R)-N-(2-amino-2-oxoethyl)-N-cyclopentylpyrrolidine-2-carboxamide
CID 93372174
N,N-dipropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119262416
(2S,3aS,7aR)-N-(1-ethylpiperidin-4-yl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 124709163
N,N-dibutyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43125964
(2S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylic acid
CID 6543676
N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 60980755
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-2-cyclobutylethanone
CID 116549195
4-amino-N-(2-amino-2-oxoethyl)-N-cyclopentylcyclopent-2-ene-1-carboxamide
CID 79210326

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-cyclopentyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-cyclopentyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 60946342) is N-(2-amino-2-oxoethyl)-N-cyclopentyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-cyclopentyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-cyclopentyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is NC(=O)CN(C(=O)C1CC2CCCCC2N1)C1CCCC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-cyclopentyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is PSCQTQWFDPDTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c17-15(20)10-19(12-6-2-3-7-12)16(21)14-9-11-5-1-4-8-13(11)18-14/h11-14,18H,1-10H2,(H2,17,20).
What are the key properties of N-(2-amino-2-oxoethyl)-N-cyclopentyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-cyclopentyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 60946342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).