phenyl N-[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate

C24H27N3O3 — CID 3136694

IUPACphenyl N-[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
SMILESO=C(NC(Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1)Oc1ccccc1
InChIInChI=1S/C24H27N3O3/c28-23(26-18-9-3-1-4-10-18)22(27-24(29)30-19-11-5-2-6-12-19)15-17-16-25-21-14-8-7-13-20(17)21/h2,5-8,11-14,16,18,22,25H,1,3-4,9-10,15H2,(H,26,28)(H,27,29)
InChIKeyAGLIBZPPHKRMAP-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.32
Rot. Bonds6

About phenyl N-[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate

phenyl N-[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate (PubChem CID 3136694) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is phenyl N-[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
PubChem CID3136694
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Namephenyl N-[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
SMILESO=C(NC(Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1)Oc1ccccc1
InChIInChI=1S/C24H27N3O3/c28-23(26-18-9-3-1-4-10-18)22(27-24(29)30-19-11-5-2-6-12-19)15-17-16-25-21-14-8-7-13-20(17)21/h2,5-8,11-14,16,18,22,25H,1,3-4,9-10,15H2,(H,26,28)(H,27,29)
InChIKeyAGLIBZPPHKRMAP-UHFFFAOYSA-N
XLogP4.32
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 9209002
tert-butyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 10666931
N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanamide
CID 3110641
benzyl N-[(2S)-1-(cyclopropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 7997575
phenyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamate
CID 110286456
N-[(2S)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide
CID 26001788
[2-(4-cyclohexylphenyl)-2-oxoethyl] (2S)-3-(1H-indol-3-yl)-2-(phenoxycarbonylamino)propanoate
CID 126010097
phenyl N-[3-(1H-indol-3-yl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]carbamate
CID 2876163
2-(benzylcarbamoylamino)-N-cyclopropyl-3-(1H-indol-3-yl)propanamide
CID 110625943
[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate
CID 175275526
benzyl N-[(2S)-3-(1H-indol-3-yl)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]carbamate
CID 126008458
(3S)-N-[(2S)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 52994169

Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of phenyl N-[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate (CID 3136694) is phenyl N-[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for phenyl N-[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for phenyl N-[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate is O=C(NC(Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1)Oc1ccccc1.
What is the InChIKey of phenyl N-[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?
The InChIKey is AGLIBZPPHKRMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c28-23(26-18-9-3-1-4-10-18)22(27-24(29)30-19-11-5-2-6-12-19)15-17-16-25-21-14-8-7-13-20(17)21/h2,5-8,11-14,16,18,22,25H,1,3-4,9-10,15H2,(H,26,28)(H,27,29).
What are the key properties of phenyl N-[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?
phenyl N-[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate has a molecular weight of 405.50 g/mol, XLogP of 4.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 3136694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).