N-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl-propan-2-ylamino]-2-phenoxypropanamide

C27H31FN2O2 — CID 42865100

IUPACN-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl-propan-2-ylamino]-2-phenoxypropanamide
SMILESCc1cccc(CN(CC(Oc2ccccc2)C(=O)NCc2ccc(F)cc2)C(C)C)c1
InChIInChI=1S/C27H31FN2O2/c1-20(2)30(18-23-9-7-8-21(3)16-23)19-26(32-25-10-5-4-6-11-25)27(31)29-17-22-12-14-24(28)15-13-22/h4-16,20,26H,17-19H2,1-3H3,(H,29,31)
InChIKeyLECRROPODAXQHA-UHFFFAOYSA-N
MW434.56 g/mol
LogP5.11
Rot. Bonds10

About N-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl-propan-2-ylamino]-2-phenoxypropanamide

N-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl-propan-2-ylamino]-2-phenoxypropanamide (PubChem CID 42865100) has the molecular formula C27H31FN2O2 and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl-propan-2-ylamino]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl-propan-2-ylamino]-2-phenoxypropanamide
PubChem CID42865100
Molecular FormulaC27H31FN2O2
Molecular Weight434.56 g/mol
Exact Mass434.24
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl-propan-2-ylamino]-2-phenoxypropanamide
SMILESCc1cccc(CN(CC(Oc2ccccc2)C(=O)NCc2ccc(F)cc2)C(C)C)c1
InChIInChI=1S/C27H31FN2O2/c1-20(2)30(18-23-9-7-8-21(3)16-23)19-26(32-25-10-5-4-6-11-25)27(31)29-17-22-12-14-24(28)15-13-22/h4-16,20,26H,17-19H2,1-3H3,(H,29,31)
InChIKeyLECRROPODAXQHA-UHFFFAOYSA-N
XLogP5.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl-propan-2-ylamino]-2-phenoxypropanamide 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

(2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 99131487
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 43904963
(2S)-N-[(4-fluorophenyl)methyl]-2-[[(1R)-2-[(3-methylphenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]butanamide
CID 92985333
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065
(2R)-N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenoxy)propanamide
CID 92675443
2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53288701
(2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 99132965
N-benzyl-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide
CID 46064845
2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 18094165
2-[(3-methylphenyl)methyl-propan-2-ylamino]acetic acid
CID 39244683
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 43911069

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl-propan-2-ylamino]-2-phenoxypropanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl-propan-2-ylamino]-2-phenoxypropanamide (CID 42865100) is N-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl-propan-2-ylamino]-2-phenoxypropanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl-propan-2-ylamino]-2-phenoxypropanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl-propan-2-ylamino]-2-phenoxypropanamide is Cc1cccc(CN(CC(Oc2ccccc2)C(=O)NCc2ccc(F)cc2)C(C)C)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl-propan-2-ylamino]-2-phenoxypropanamide?
The InChIKey is LECRROPODAXQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN2O2/c1-20(2)30(18-23-9-7-8-21(3)16-23)19-26(32-25-10-5-4-6-11-25)27(31)29-17-22-12-14-24(28)15-13-22/h4-16,20,26H,17-19H2,1-3H3,(H,29,31).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl-propan-2-ylamino]-2-phenoxypropanamide?
N-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl-propan-2-ylamino]-2-phenoxypropanamide has a molecular weight of 434.56 g/mol, XLogP of 5.11, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl-propan-2-ylamino]-2-phenoxypropanamide is sourced from PubChem (CID 42865100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).