prop-2-enyl (2S)-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanoate

C23H22N2O3 — CID 40634959

IUPACprop-2-enyl (2S)-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanoate
SMILESC=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C23H22N2O3/c1-2-15-28-22(26)21(16-17-9-4-3-5-10-17)25-23(27)24-20-14-8-12-18-11-6-7-13-19(18)20/h2-14,21H,1,15-16H2,(H2,24,25,27)/t21-/m0/s1
InChIKeyYLMWVGVOOOIKKD-NRFANRHFSA-N
MW374.44 g/mol
LogP4.30
Rot. Bonds7

About prop-2-enyl (2S)-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanoate

prop-2-enyl (2S)-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanoate (PubChem CID 40634959) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is prop-2-enyl (2S)-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanoate.

Molecular Properties

Compound Nameprop-2-enyl (2S)-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanoate
PubChem CID40634959
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Nameprop-2-enyl (2S)-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanoate
SMILESC=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C23H22N2O3/c1-2-15-28-22(26)21(16-17-9-4-3-5-10-17)25-23(27)24-20-14-8-12-18-11-6-7-13-19(18)20/h2-14,21H,1,15-16H2,(H2,24,25,27)/t21-/m0/s1
InChIKeyYLMWVGVOOOIKKD-NRFANRHFSA-N
XLogP4.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze prop-2-enyl (2S)-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

prop-2-enyl (2R)-2-[(3-chlorophenyl)carbamoylamino]-3-phenylpropanoate
CID 40626177
(2S)-N-cyclopropyl-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanamide
CID 52506751
prop-2-enyl 2-acetamido-3-phenylpropanoate
CID 67861806
[(2S)-1-oxo-3-phenyl-1-prop-2-enoxypropan-2-yl]carbamodithioic acid
CID 10755288
1-naphthalen-1-yl-3-prop-2-enoxyurea
CID 4604383
(2R)-2-[[(2R)-2-(naphthalen-1-ylcarbamoylamino)propanoyl]amino]-3-phenylpropanoic acid
CID 40571772
prop-2-enyl 2-[(2-bromoacetyl)amino]-3-phenylpropanoate
CID 67861477
prop-2-enyl 2-(pentanoylamino)-3-phenylpropanoate
CID 67861490
(2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid
CID 40606625
prop-2-enyl (2R)-2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 40578348
(2S)-3-methoxy-2-(naphthalen-1-ylcarbamoylamino)propanamide
CID 99796982
(2R)-2-(naphthalen-1-ylcarbamoylamino)pentanedioic acid
CID 95559600

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S)-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanoate?
The IUPAC name of prop-2-enyl (2S)-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanoate (CID 40634959) is prop-2-enyl (2S)-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanoate.
What is the SMILES notation for prop-2-enyl (2S)-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanoate?
The canonical SMILES for prop-2-enyl (2S)-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanoate is C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cccc2ccccc12.
What is the InChIKey of prop-2-enyl (2S)-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanoate?
The InChIKey is YLMWVGVOOOIKKD-NRFANRHFSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-2-15-28-22(26)21(16-17-9-4-3-5-10-17)25-23(27)24-20-14-8-12-18-11-6-7-13-19(18)20/h2-14,21H,1,15-16H2,(H2,24,25,27)/t21-/m0/s1.
What are the key properties of prop-2-enyl (2S)-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanoate?
prop-2-enyl (2S)-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanoate has a molecular weight of 374.44 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S)-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanoate is sourced from PubChem (CID 40634959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).