2-(benzylcarbamoylamino)-N-cyclopropyl-3-(1H-indol-3-yl)propanamide

C22H24N4O2 — CID 110625943

IUPAC2-(benzylcarbamoylamino)-N-cyclopropyl-3-(1H-indol-3-yl)propanamide
SMILESO=C(NCc1ccccc1)NC(Cc1c[nH]c2ccccc12)C(=O)NC1CC1
InChIInChI=1S/C22H24N4O2/c27-21(25-17-10-11-17)20(12-16-14-23-19-9-5-4-8-18(16)19)26-22(28)24-13-15-6-2-1-3-7-15/h1-9,14,17,20,23H,10-13H2,(H,25,27)(H2,24,26,28)
InChIKeyAIDOBXUDBUPCSX-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.86
Rot. Bonds7

About 2-(benzylcarbamoylamino)-N-cyclopropyl-3-(1H-indol-3-yl)propanamide

2-(benzylcarbamoylamino)-N-cyclopropyl-3-(1H-indol-3-yl)propanamide (PubChem CID 110625943) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(benzylcarbamoylamino)-N-cyclopropyl-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-(benzylcarbamoylamino)-N-cyclopropyl-3-(1H-indol-3-yl)propanamide
PubChem CID110625943
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-(benzylcarbamoylamino)-N-cyclopropyl-3-(1H-indol-3-yl)propanamide
SMILESO=C(NCc1ccccc1)NC(Cc1c[nH]c2ccccc12)C(=O)NC1CC1
InChIInChI=1S/C22H24N4O2/c27-21(25-17-10-11-17)20(12-16-14-23-19-9-5-4-8-18(16)19)26-22(28)24-13-15-6-2-1-3-7-15/h1-9,14,17,20,23H,10-13H2,(H,25,27)(H2,24,26,28)
InChIKeyAIDOBXUDBUPCSX-UHFFFAOYSA-N
XLogP2.86
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-[(2S)-1-(cyclopropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 7997575
(2S)-2-(cyclopropylcarbamoylamino)-3-(1H-indol-3-yl)propanoic acid
CID 61187372
(2S)-N-[[3-(aminomethyl)phenyl]methyl]-2-(benzylcarbamoylamino)-3-(1H-indol-3-yl)propanamide
CID 101338108
benzyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 9209002
N-[(2S)-1-(cyclopropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide
CID 110286344
N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanamide
CID 3110641
N-[(2S)-3-(1H-indol-3-yl)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 40637610
3-(1H-indol-3-yl)-2-(naphthalen-1-ylmethylcarbamoylamino)propanoic acid
CID 45331741
phenyl N-[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 3136694
(2R)-N-benzyl-3-(1H-indol-3-yl)-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanamide
CID 51398273
(2S)-N-benzyl-2-(dimethylcarbamoylamino)-3-(1H-indol-3-yl)propanamide
CID 110286534
2-(cyclopropylamino)-3-(1H-indol-3-yl)propanoic acid
CID 68626670

Frequently Asked Questions

What is the IUPAC name of 2-(benzylcarbamoylamino)-N-cyclopropyl-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-(benzylcarbamoylamino)-N-cyclopropyl-3-(1H-indol-3-yl)propanamide (CID 110625943) is 2-(benzylcarbamoylamino)-N-cyclopropyl-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-(benzylcarbamoylamino)-N-cyclopropyl-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-(benzylcarbamoylamino)-N-cyclopropyl-3-(1H-indol-3-yl)propanamide is O=C(NCc1ccccc1)NC(Cc1c[nH]c2ccccc12)C(=O)NC1CC1.
What is the InChIKey of 2-(benzylcarbamoylamino)-N-cyclopropyl-3-(1H-indol-3-yl)propanamide?
The InChIKey is AIDOBXUDBUPCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-21(25-17-10-11-17)20(12-16-14-23-19-9-5-4-8-18(16)19)26-22(28)24-13-15-6-2-1-3-7-15/h1-9,14,17,20,23H,10-13H2,(H,25,27)(H2,24,26,28).
What are the key properties of 2-(benzylcarbamoylamino)-N-cyclopropyl-3-(1H-indol-3-yl)propanamide?
2-(benzylcarbamoylamino)-N-cyclopropyl-3-(1H-indol-3-yl)propanamide has a molecular weight of 376.46 g/mol, XLogP of 2.86, 7 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylcarbamoylamino)-N-cyclopropyl-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 110625943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).