N-[3-(cyclohexylamino)-3-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride

C18H32ClN3O2 — CID 119299472

IUPACN-[3-(cyclohexylamino)-3-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
SMILESCl.O=C(CCNC(=O)C1CC2CCCCC2N1)NC1CCCCC1
InChIInChI=1S/C18H31N3O2.ClH/c22-17(20-14-7-2-1-3-8-14)10-11-19-18(23)16-12-13-6-4-5-9-15(13)21-16;/h13-16,21H,1-12H2,(H,19,23)(H,20,22);1H
InChIKeyAUUTXPUNQVKAMM-UHFFFAOYSA-N
MW357.93 g/mol
LogP2.28
Rot. Bonds5

About N-[3-(cyclohexylamino)-3-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride

N-[3-(cyclohexylamino)-3-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride (PubChem CID 119299472) has the molecular formula C18H32ClN3O2 and a molecular weight of 357.93 g/mol. Its IUPAC name is N-[3-(cyclohexylamino)-3-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(cyclohexylamino)-3-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
PubChem CID119299472
Molecular FormulaC18H32ClN3O2
Molecular Weight357.93 g/mol
Exact Mass357.22
IUPAC NameN-[3-(cyclohexylamino)-3-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
SMILESCl.O=C(CCNC(=O)C1CC2CCCCC2N1)NC1CCCCC1
InChIInChI=1S/C18H31N3O2.ClH/c22-17(20-14-7-2-1-3-8-14)10-11-19-18(23)16-12-13-6-4-5-9-15(13)21-16;/h13-16,21H,1-12H2,(H,19,23)(H,20,22);1H
InChIKeyAUUTXPUNQVKAMM-UHFFFAOYSA-N
XLogP2.28
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.93
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-(cyclohexylamino)-3-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[4-(cyclopropylamino)-4-oxobutyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 79377074
N-[3-(methylamino)-3-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119293827
N-[3-(cyclohexylamino)-3-oxopropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119299488
N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 24711712
methyl 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)butanoate;hydrochloride
CID 119268693
N-(3-cyclopentylpropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 103795254
N-(3,3,3-trifluoropropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 63227285
N-(2,2,2-trifluoroethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119290994
N-(thian-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119313222
N-pent-4-ynyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 106221910
N-[2-(cyclopropylamino)-2-oxoethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471973
N-[2-[cyclopentyl(methyl)amino]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 63316025

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride (CID 119299472) is N-[3-(cyclohexylamino)-3-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(cyclohexylamino)-3-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(cyclohexylamino)-3-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride is Cl.O=C(CCNC(=O)C1CC2CCCCC2N1)NC1CCCCC1.
What is the InChIKey of N-[3-(cyclohexylamino)-3-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is AUUTXPUNQVKAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2.ClH/c22-17(20-14-7-2-1-3-8-14)10-11-19-18(23)16-12-13-6-4-5-9-15(13)21-16;/h13-16,21H,1-12H2,(H,19,23)(H,20,22);1H.
What are the key properties of N-[3-(cyclohexylamino)-3-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
N-[3-(cyclohexylamino)-3-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 357.93 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylamino)-3-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119299472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).