N-(2-methylpropyl)-N-[(1S)-1-phenylethyl]prop-2-enamide

C15H21NO — CID 101152231

IUPACN-(2-methylpropyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
SMILESC=CC(=O)N(CC(C)C)[C@@H](C)c1ccccc1
InChIInChI=1S/C15H21NO/c1-5-15(17)16(11-12(2)3)13(4)14-9-7-6-8-10-14/h5-10,12-13H,1,11H2,2-4H3/t13-/m0/s1
InChIKeyKCQAHWCEKUPZSK-ZDUSSCGKSA-N
MW231.34 g/mol
LogP3.42
Rot. Bonds5

About N-(2-methylpropyl)-N-[(1S)-1-phenylethyl]prop-2-enamide

N-(2-methylpropyl)-N-[(1S)-1-phenylethyl]prop-2-enamide (PubChem CID 101152231) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[(1S)-1-phenylethyl]prop-2-enamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
PubChem CID101152231
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(2-methylpropyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
SMILESC=CC(=O)N(CC(C)C)[C@@H](C)c1ccccc1
InChIInChI=1S/C15H21NO/c1-5-15(17)16(11-12(2)3)13(4)14-9-7-6-8-10-14/h5-10,12-13H,1,11H2,2-4H3/t13-/m0/s1
InChIKeyKCQAHWCEKUPZSK-ZDUSSCGKSA-N
XLogP3.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N-bis[(1R)-1-phenylethyl]prop-2-enamide
CID 12031722
1-phenylethyl(prop-2-enyl)carbamic acid
CID 57372880
(E)-N-[(2R)-3-hydroxy-2-methylpropyl]-N-[(1S)-1-phenylethyl]but-2-enamide
CID 11346023
2-methyl-3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid
CID 82329010
1-phenylethyl(propyl)carbamic acid
CID 57360234
N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylprop-2-enamide
CID 11413337
3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid
CID 82328958
methyl N-(2-ethenoxyethyl)-N-(1-phenylethyl)carbamate
CID 154113841
N,N-bis[hydroxy(phenyl)methyl]prop-2-enamide
CID 67100741
2-chloroethyl(1-phenylethyl)carbamic acid
CID 57362032
N-[(1S)-1-phenylethyl]-N-prop-2-ynylpent-4-enamide
CID 11817337
fluoro(1-phenylethyl)carbamic acid
CID 152621646

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[(1S)-1-phenylethyl]prop-2-enamide?
The IUPAC name of N-(2-methylpropyl)-N-[(1S)-1-phenylethyl]prop-2-enamide (CID 101152231) is N-(2-methylpropyl)-N-[(1S)-1-phenylethyl]prop-2-enamide.
What is the SMILES notation for N-(2-methylpropyl)-N-[(1S)-1-phenylethyl]prop-2-enamide?
The canonical SMILES for N-(2-methylpropyl)-N-[(1S)-1-phenylethyl]prop-2-enamide is C=CC(=O)N(CC(C)C)[C@@H](C)c1ccccc1.
What is the InChIKey of N-(2-methylpropyl)-N-[(1S)-1-phenylethyl]prop-2-enamide?
The InChIKey is KCQAHWCEKUPZSK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21NO/c1-5-15(17)16(11-12(2)3)13(4)14-9-7-6-8-10-14/h5-10,12-13H,1,11H2,2-4H3/t13-/m0/s1.
What are the key properties of N-(2-methylpropyl)-N-[(1S)-1-phenylethyl]prop-2-enamide?
N-(2-methylpropyl)-N-[(1S)-1-phenylethyl]prop-2-enamide has a molecular weight of 231.34 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[(1S)-1-phenylethyl]prop-2-enamide is sourced from PubChem (CID 101152231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).