N-ethyl-2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide

C24H32N2O3 — CID 132660532

IUPACN-ethyl-2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide
SMILESCCNC(=O)C(CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C)cc1
InChIInChI=1S/C24H32N2O3/c1-5-22(24(28)25-6-2)26(17-20-8-7-9-21(16-20)29-4)23(27)15-14-19-12-10-18(3)11-13-19/h7-13,16,22H,5-6,14-15,17H2,1-4H3,(H,25,28)
InChIKeyKEERMNPPVZNLJI-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.88
Rot. Bonds10

About N-ethyl-2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide

N-ethyl-2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide (PubChem CID 132660532) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-ethyl-2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide.

Molecular Properties

Compound NameN-ethyl-2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide
PubChem CID132660532
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-ethyl-2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide
SMILESCCNC(=O)C(CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C)cc1
InChIInChI=1S/C24H32N2O3/c1-5-22(24(28)25-6-2)26(17-20-8-7-9-21(16-20)29-4)23(27)15-14-19-12-10-18(3)11-13-19/h7-13,16,22H,5-6,14-15,17H2,1-4H3,(H,25,28)
InChIKeyKEERMNPPVZNLJI-UHFFFAOYSA-N
XLogP3.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide
CID 132611390
(2R)-2-[3-(4-tert-butylphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-N-propylbutanamide
CID 100608946
N-ethyl-2-[(3-methoxyphenyl)methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]butanamide
CID 132664686
2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-propan-2-ylbutanamide
CID 132704807
2-[[2-(3,4-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-ethylbutanamide
CID 132660404
(2R)-2-[3-(4-tert-butylphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 100500273
(2S)-2-[(3-methoxyphenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 100501439
N-ethyl-2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]butanamide
CID 132660873
2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide
CID 132660550
2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-ethylbutanamide
CID 132667959
(2R)-N-cyclohexyl-2-[3-(4-ethylphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]butanamide
CID 100593047
2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]-N-(2-methylpropyl)butanamide
CID 132718723

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide?
The IUPAC name of N-ethyl-2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide (CID 132660532) is N-ethyl-2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide.
What is the SMILES notation for N-ethyl-2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide?
The canonical SMILES for N-ethyl-2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide is CCNC(=O)C(CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C)cc1.
What is the InChIKey of N-ethyl-2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide?
The InChIKey is KEERMNPPVZNLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-5-22(24(28)25-6-2)26(17-20-8-7-9-21(16-20)29-4)23(27)15-14-19-12-10-18(3)11-13-19/h7-13,16,22H,5-6,14-15,17H2,1-4H3,(H,25,28).
What are the key properties of N-ethyl-2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide?
N-ethyl-2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide has a molecular weight of 396.53 g/mol, XLogP of 3.88, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide is sourced from PubChem (CID 132660532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).