N-[(2R)-4-phenylbutan-2-yl]-2-(prop-2-enylamino)acetamide

C15H22N2O — CID 97170590

IUPACN-[(2R)-4-phenylbutan-2-yl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N[C@H](C)CCc1ccccc1
InChIInChI=1S/C15H22N2O/c1-3-11-16-12-15(18)17-13(2)9-10-14-7-5-4-6-8-14/h3-8,13,16H,1,9-12H2,2H3,(H,17,18)/t13-/m1/s1
InChIKeyDISSJOQVEKGSGN-CYBMUJFWSA-N
MW246.35 g/mol
LogP1.90
Rot. Bonds8

About N-[(2R)-4-phenylbutan-2-yl]-2-(prop-2-enylamino)acetamide

N-[(2R)-4-phenylbutan-2-yl]-2-(prop-2-enylamino)acetamide (PubChem CID 97170590) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[(2R)-4-phenylbutan-2-yl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[(2R)-4-phenylbutan-2-yl]-2-(prop-2-enylamino)acetamide
PubChem CID97170590
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[(2R)-4-phenylbutan-2-yl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N[C@H](C)CCc1ccccc1
InChIInChI=1S/C15H22N2O/c1-3-11-16-12-15(18)17-13(2)9-10-14-7-5-4-6-8-14/h3-8,13,16H,1,9-12H2,2H3,(H,17,18)/t13-/m1/s1
InChIKeyDISSJOQVEKGSGN-CYBMUJFWSA-N
XLogP1.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2R)-4-phenylbutan-2-yl]-2-(prop-2-enylamino)acetamide 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

N-(1-phenylpropan-2-yl)-2-(prop-2-enylamino)acetamide
CID 79278946
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
1-[(2R)-4-phenylbutan-2-yl]-3-prop-2-enylthiourea
CID 40600719
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
N-(4-phenylbutan-2-yl)-2-sulfanylacetamide
CID 60650069
N-(6-methylheptan-2-yl)-2-(prop-2-enylamino)acetamide
CID 78914225
N-[(2S)-4-phenylbutan-2-yl]-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7798185
2-benzylsulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 40617650
2-(benzhydrylamino)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7516085
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide
CID 93035071

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-phenylbutan-2-yl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[(2R)-4-phenylbutan-2-yl]-2-(prop-2-enylamino)acetamide (CID 97170590) is N-[(2R)-4-phenylbutan-2-yl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[(2R)-4-phenylbutan-2-yl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[(2R)-4-phenylbutan-2-yl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)N[C@H](C)CCc1ccccc1.
What is the InChIKey of N-[(2R)-4-phenylbutan-2-yl]-2-(prop-2-enylamino)acetamide?
The InChIKey is DISSJOQVEKGSGN-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-11-16-12-15(18)17-13(2)9-10-14-7-5-4-6-8-14/h3-8,13,16H,1,9-12H2,2H3,(H,17,18)/t13-/m1/s1.
What are the key properties of N-[(2R)-4-phenylbutan-2-yl]-2-(prop-2-enylamino)acetamide?
N-[(2R)-4-phenylbutan-2-yl]-2-(prop-2-enylamino)acetamide has a molecular weight of 246.35 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-phenylbutan-2-yl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 97170590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).