(2S)-N-cyclopropyl-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanamide

C23H23N3O2 — CID 52506751

IUPAC(2S)-N-cyclopropyl-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanamide
SMILESO=C(Nc1cccc2ccccc12)N[C@@H](Cc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C23H23N3O2/c27-22(24-18-13-14-18)21(15-16-7-2-1-3-8-16)26-23(28)25-20-12-6-10-17-9-4-5-11-19(17)20/h1-12,18,21H,13-15H2,(H,24,27)(H2,25,26,28)/t21-/m0/s1
InChIKeyZEARMGGSDZYEPL-NRFANRHFSA-N
MW373.46 g/mol
LogP3.85
Rot. Bonds6

About (2S)-N-cyclopropyl-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanamide

(2S)-N-cyclopropyl-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanamide (PubChem CID 52506751) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanamide
PubChem CID52506751
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name(2S)-N-cyclopropyl-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanamide
SMILESO=C(Nc1cccc2ccccc12)N[C@@H](Cc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C23H23N3O2/c27-22(24-18-13-14-18)21(15-16-7-2-1-3-8-16)26-23(28)25-20-12-6-10-17-9-4-5-11-19(17)20/h1-12,18,21H,13-15H2,(H,24,27)(H2,25,26,28)/t21-/m0/s1
InChIKeyZEARMGGSDZYEPL-NRFANRHFSA-N
XLogP3.85
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chlorophenyl)carbamoylamino]-N-cyclopropyl-3-phenylpropanamide
CID 47093307
(2R)-N-cyclopropyl-3-phenyl-2-(pyridin-4-ylcarbamoylamino)propanamide
CID 94798428
N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoylamino]-3-phenylpropanamide
CID 47093309
prop-2-enyl (2S)-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanoate
CID 40634959
(2R)-2-[[(2R)-2-(naphthalen-1-ylcarbamoylamino)propanoyl]amino]-3-phenylpropanoic acid
CID 40571772
(2R)-N-cyclopropyl-2-[(3-ethynylphenyl)carbamoylamino]-3-phenylpropanamide
CID 95342005
1-naphthalen-1-yl-3-piperidin-4-ylurea
CID 16790595
(2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid
CID 40606625
1-[(1R)-1-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-2-phenylethyl]-3-naphthalen-1-ylurea
CID 98305527
1-[(1S)-1-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-2-phenylethyl]-3-naphthalen-1-ylurea
CID 98305526
sodium (2S,3S)-3-[[(2S)-1-(naphthalen-1-ylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylate
CID 23662059
(2S)-4-hydroxy-2-(naphthalen-1-ylcarbamoylamino)butanoic acid
CID 107823831

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanamide (CID 52506751) is (2S)-N-cyclopropyl-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanamide is O=C(Nc1cccc2ccccc12)N[C@@H](Cc1ccccc1)C(=O)NC1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanamide?
The InChIKey is ZEARMGGSDZYEPL-NRFANRHFSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-22(24-18-13-14-18)21(15-16-7-2-1-3-8-16)26-23(28)25-20-12-6-10-17-9-4-5-11-19(17)20/h1-12,18,21H,13-15H2,(H,24,27)(H2,25,26,28)/t21-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanamide?
(2S)-N-cyclopropyl-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanamide has a molecular weight of 373.46 g/mol, XLogP of 3.85, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanamide is sourced from PubChem (CID 52506751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).