(2R,3R)-N-benzyl-3-cyclohexyloxy-2-(4-methoxyphenyl)pent-4-enamide

C25H31NO3 — CID 164579276

IUPAC(2R,3R)-N-benzyl-3-cyclohexyloxy-2-(4-methoxyphenyl)pent-4-enamide
SMILESC=C[C@@H](OC1CCCCC1)[C@H](C(=O)NCc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C25H31NO3/c1-3-23(29-22-12-8-5-9-13-22)24(20-14-16-21(28-2)17-15-20)25(27)26-18-19-10-6-4-7-11-19/h3-4,6-7,10-11,14-17,22-24H,1,5,8-9,12-13,18H2,2H3,(H,26,27)/t23-,24-/m1/s1
InChIKeyUDGJJKBDOWYSAH-DNQXCXABSA-N
MW393.53 g/mol
LogP5.00
Rot. Bonds9

About (2R,3R)-N-benzyl-3-cyclohexyloxy-2-(4-methoxyphenyl)pent-4-enamide

(2R,3R)-N-benzyl-3-cyclohexyloxy-2-(4-methoxyphenyl)pent-4-enamide (PubChem CID 164579276) has the molecular formula C25H31NO3 and a molecular weight of 393.53 g/mol. Its IUPAC name is (2R,3R)-N-benzyl-3-cyclohexyloxy-2-(4-methoxyphenyl)pent-4-enamide.

Molecular Properties

Compound Name(2R,3R)-N-benzyl-3-cyclohexyloxy-2-(4-methoxyphenyl)pent-4-enamide
PubChem CID164579276
Molecular FormulaC25H31NO3
Molecular Weight393.53 g/mol
Exact Mass393.23
IUPAC Name(2R,3R)-N-benzyl-3-cyclohexyloxy-2-(4-methoxyphenyl)pent-4-enamide
SMILESC=C[C@@H](OC1CCCCC1)[C@H](C(=O)NCc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C25H31NO3/c1-3-23(29-22-12-8-5-9-13-22)24(20-14-16-21(28-2)17-15-20)25(27)26-18-19-10-6-4-7-11-19/h3-4,6-7,10-11,14-17,22-24H,1,5,8-9,12-13,18H2,2H3,(H,26,27)/t23-,24-/m1/s1
InChIKeyUDGJJKBDOWYSAH-DNQXCXABSA-N
XLogP5.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,3R)-N-benzyl-3-cyclohexyloxy-2-(4-methoxyphenyl)pent-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,3R)-N-benzyl-3-cyclohexyloxy-2-(6-methoxy-1-benzofuran-3-yl)pent-4-enamide
CID 164579280
N-benzyl-2-(4-methoxyphenyl)propanamide
CID 102432443
methyl (2R,3R)-3-cyclohexyloxy-2-(4-methylphenyl)pent-4-enoate
CID 164579298
(2R,3R)-N-benzyl-2-(4-methylphenyl)-3-(3-phenylpropoxy)pent-4-enamide
CID 164579293
N-benzyl-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 110296909
N-benzyl-2-[(4-methoxyphenyl)methylamino]-2-phenylacetamide
CID 68961679
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide
CID 15516889
2-[benzyl(methyl)amino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
CID 122174537
(2S)-2-amino-N-[(4-cyclohexyloxyphenyl)methyl]-3-phenylpropanamide
CID 119312794
(2S,3R)-3-cyclopropyl-2-(4-methoxyphenyl)pent-4-enoic acid
CID 101184774
1-benzyl-3-[bis(4-methoxyphenyl)methyl]urea
CID 38273727
(3R)-3-ethyl-2-(4-methoxyphenyl)pent-4-enoic acid
CID 142815770

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-benzyl-3-cyclohexyloxy-2-(4-methoxyphenyl)pent-4-enamide?
The IUPAC name of (2R,3R)-N-benzyl-3-cyclohexyloxy-2-(4-methoxyphenyl)pent-4-enamide (CID 164579276) is (2R,3R)-N-benzyl-3-cyclohexyloxy-2-(4-methoxyphenyl)pent-4-enamide.
What is the SMILES notation for (2R,3R)-N-benzyl-3-cyclohexyloxy-2-(4-methoxyphenyl)pent-4-enamide?
The canonical SMILES for (2R,3R)-N-benzyl-3-cyclohexyloxy-2-(4-methoxyphenyl)pent-4-enamide is C=C[C@@H](OC1CCCCC1)[C@H](C(=O)NCc1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of (2R,3R)-N-benzyl-3-cyclohexyloxy-2-(4-methoxyphenyl)pent-4-enamide?
The InChIKey is UDGJJKBDOWYSAH-DNQXCXABSA-N. The full InChI is InChI=1S/C25H31NO3/c1-3-23(29-22-12-8-5-9-13-22)24(20-14-16-21(28-2)17-15-20)25(27)26-18-19-10-6-4-7-11-19/h3-4,6-7,10-11,14-17,22-24H,1,5,8-9,12-13,18H2,2H3,(H,26,27)/t23-,24-/m1/s1.
What are the key properties of (2R,3R)-N-benzyl-3-cyclohexyloxy-2-(4-methoxyphenyl)pent-4-enamide?
(2R,3R)-N-benzyl-3-cyclohexyloxy-2-(4-methoxyphenyl)pent-4-enamide has a molecular weight of 393.53 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-benzyl-3-cyclohexyloxy-2-(4-methoxyphenyl)pent-4-enamide is sourced from PubChem (CID 164579276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).