(Z)-N-[(2R)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide

C16H23NO — CID 93005654

IUPAC(Z)-N-[(2R)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC[C@@H](C)NC(=O)/C=C\c1ccc(C(C)C)cc1
InChIInChI=1S/C16H23NO/c1-5-13(4)17-16(18)11-8-14-6-9-15(10-7-14)12(2)3/h6-13H,5H2,1-4H3,(H,17,18)/b11-8-/t13-/m1/s1
InChIKeyCENJGCHVVYWLEU-BIRHUZIMSA-N
MW245.37 g/mol
LogP3.74
Rot. Bonds5

About (Z)-N-[(2R)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide

(Z)-N-[(2R)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 93005654) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (Z)-N-[(2R)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(2R)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID93005654
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(Z)-N-[(2R)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC[C@@H](C)NC(=O)/C=C\c1ccc(C(C)C)cc1
InChIInChI=1S/C16H23NO/c1-5-13(4)17-16(18)11-8-14-6-9-15(10-7-14)12(2)3/h6-13H,5H2,1-4H3,(H,17,18)/b11-8-/t13-/m1/s1
InChIKeyCENJGCHVVYWLEU-BIRHUZIMSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-N-[(2R)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide 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

(Z)-N-[(2S)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 93005655
N-butan-2-yl-3-(4-hydroxyphenyl)prop-2-enamide
CID 73010667
(E)-N-[(2R)-butan-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 897562
2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butanoic acid
CID 43387348
(E)-N-[(2R)-butan-2-yl]-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 39399219
(E)-N-[(2S)-butan-2-yl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 896104
4-[(E)-3-(butan-2-ylamino)-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134034315
(Z)-N-[(2S)-butan-2-yl]-3-(3-chloro-4-methylphenyl)prop-2-enamide
CID 97304937
(2R)-2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]pentanoic acid
CID 107562981
(E)-3-(4-propan-2-ylphenyl)-N-propylprop-2-enamide
CID 6159715
(2S)-3-methyl-2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butanoic acid
CID 92922474
(Z)-N-(4-butan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 22305599

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2R)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (Z)-N-[(2R)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 93005654) is (Z)-N-[(2R)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[(2R)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-[(2R)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide is CC[C@@H](C)NC(=O)/C=C\c1ccc(C(C)C)cc1.
What is the InChIKey of (Z)-N-[(2R)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is CENJGCHVVYWLEU-BIRHUZIMSA-N. The full InChI is InChI=1S/C16H23NO/c1-5-13(4)17-16(18)11-8-14-6-9-15(10-7-14)12(2)3/h6-13H,5H2,1-4H3,(H,17,18)/b11-8-/t13-/m1/s1.
What are the key properties of (Z)-N-[(2R)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
(Z)-N-[(2R)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 245.37 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2R)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 93005654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).