(2S)-N-[[1-[(R)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-2,4-dimethylpent-4-enamide

C18H25NO2 — CID 99784868

IUPAC(2S)-N-[[1-[(R)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-2,4-dimethylpent-4-enamide
SMILESC=C(C)C[C@H](C)C(=O)NCC1([C@H](O)c2ccccc2)CC1
InChIInChI=1S/C18H25NO2/c1-13(2)11-14(3)17(21)19-12-18(9-10-18)16(20)15-7-5-4-6-8-15/h4-8,14,16,20H,1,9-12H2,2-3H3,(H,19,21)/t14-,16+/m0/s1
InChIKeyAYOQDGJVDCRHMG-GOEBONIOSA-N
MW287.40 g/mol
LogP3.22
Rot. Bonds7

About (2S)-N-[[1-[(R)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-2,4-dimethylpent-4-enamide

(2S)-N-[[1-[(R)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-2,4-dimethylpent-4-enamide (PubChem CID 99784868) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (2S)-N-[[1-[(R)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-2,4-dimethylpent-4-enamide.

Molecular Properties

Compound Name(2S)-N-[[1-[(R)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-2,4-dimethylpent-4-enamide
PubChem CID99784868
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(2S)-N-[[1-[(R)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-2,4-dimethylpent-4-enamide
SMILESC=C(C)C[C@H](C)C(=O)NCC1([C@H](O)c2ccccc2)CC1
InChIInChI=1S/C18H25NO2/c1-13(2)11-14(3)17(21)19-12-18(9-10-18)16(20)15-7-5-4-6-8-15/h4-8,14,16,20H,1,9-12H2,2-3H3,(H,19,21)/t14-,16+/m0/s1
InChIKeyAYOQDGJVDCRHMG-GOEBONIOSA-N
XLogP3.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-N-[[1-[(R)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-2,4-dimethylpent-4-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

(2R)-2-amino-N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]propanamide
CID 120873430
(2S)-2,4-dimethyl-N-[(1S)-1-phenylethyl]pent-4-enamide
CID 135041041
N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 155953494
2-(1-hydroxycyclohexyl)-N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]acetamide
CID 75387676
2-amino-2-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]acetamide;hydrochloride
CID 119333913
4-acetyl-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-1-methylpyrrole-2-carboxamide
CID 97240530
4-(2,4-dimethylpent-4-enoylamino)-4-phenylbutanoic acid
CID 120686341
N-(2,4-dimethylpent-4-enoyl)benzamide
CID 15864898
N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-2-morpholin-4-ylacetamide
CID 110011720
(2R)-2-(3-cyclopentylpropanoylamino)-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]pentanediamide
CID 97260125
N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]quinoxaline-6-carboxamide
CID 75387673
3-amino-3-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide;hydrochloride
CID 119951995

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[1-[(R)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-2,4-dimethylpent-4-enamide?
The IUPAC name of (2S)-N-[[1-[(R)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-2,4-dimethylpent-4-enamide (CID 99784868) is (2S)-N-[[1-[(R)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-2,4-dimethylpent-4-enamide.
What is the SMILES notation for (2S)-N-[[1-[(R)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-2,4-dimethylpent-4-enamide?
The canonical SMILES for (2S)-N-[[1-[(R)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-2,4-dimethylpent-4-enamide is C=C(C)C[C@H](C)C(=O)NCC1([C@H](O)c2ccccc2)CC1.
What is the InChIKey of (2S)-N-[[1-[(R)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-2,4-dimethylpent-4-enamide?
The InChIKey is AYOQDGJVDCRHMG-GOEBONIOSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13(2)11-14(3)17(21)19-12-18(9-10-18)16(20)15-7-5-4-6-8-15/h4-8,14,16,20H,1,9-12H2,2-3H3,(H,19,21)/t14-,16+/m0/s1.
What are the key properties of (2S)-N-[[1-[(R)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-2,4-dimethylpent-4-enamide?
(2S)-N-[[1-[(R)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-2,4-dimethylpent-4-enamide has a molecular weight of 287.40 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[1-[(R)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-2,4-dimethylpent-4-enamide is sourced from PubChem (CID 99784868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).