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

C18H23N3O3 — CID 175275526

IUPAC[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate
SMILESNC(=O)OC(Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1
InChIInChI=1S/C18H23N3O3/c19-18(23)24-16(17(22)21-13-6-2-1-3-7-13)10-12-11-20-15-9-5-4-8-14(12)15/h4-5,8-9,11,13,16,20H,1-3,6-7,10H2,(H2,19,23)(H,21,22)
InChIKeyUWMYJPXQCLXWJS-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.62
Rot. Bonds5

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

[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate (PubChem CID 175275526) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is [1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate
PubChem CID175275526
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate
SMILESNC(=O)OC(Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1
InChIInChI=1S/C18H23N3O3/c19-18(23)24-16(17(22)21-13-6-2-1-3-7-13)10-12-11-20-15-9-5-4-8-14(12)15/h4-5,8-9,11,13,16,20H,1-3,6-7,10H2,(H2,19,23)(H,21,22)
InChIKeyUWMYJPXQCLXWJS-UHFFFAOYSA-N
XLogP2.62
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate
CID 68925236
[(1R)-1-(cyclohexylamino)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl] carbamate
CID 175552962
(2S)-2-(cyclopentylamino)-3-(1H-indol-3-yl)propanamide
CID 91153843
[(Z)-[1-amino-2-(1H-indol-3-yl)ethylidene]amino] N-cyclohexylcarbamate
CID 134107242
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7259091
benzyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 9209002
phenyl N-[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 3136694
N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanamide
CID 3110641
N-[(2S)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide
CID 26001788
tert-butyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 10666931
benzyl N-[(2S)-1-(cyclopropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 7997575
3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea
CID 110749007

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate?
The IUPAC name of [1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate (CID 175275526) is [1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate.
What is the SMILES notation for [1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate?
The canonical SMILES for [1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate is NC(=O)OC(Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1.
What is the InChIKey of [1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate?
The InChIKey is UWMYJPXQCLXWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c19-18(23)24-16(17(22)21-13-6-2-1-3-7-13)10-12-11-20-15-9-5-4-8-14(12)15/h4-5,8-9,11,13,16,20H,1-3,6-7,10H2,(H2,19,23)(H,21,22).
What are the key properties of [1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate?
[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate has a molecular weight of 329.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate is sourced from PubChem (CID 175275526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).