N-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide

C19H30N2O3 — CID 132699965

IUPACN-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide
SMILESCCCCNC(=O)C(CC)N(Cc1cccc(OC)c1)C(=O)CC
InChIInChI=1S/C19H30N2O3/c1-5-8-12-20-19(23)17(6-2)21(18(22)7-3)14-15-10-9-11-16(13-15)24-4/h9-11,13,17H,5-8,12,14H2,1-4H3,(H,20,23)
InChIKeySBSIBRUZGLJREU-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.13
Rot. Bonds10

About N-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide

N-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide (PubChem CID 132699965) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide.

Molecular Properties

Compound NameN-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide
PubChem CID132699965
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide
SMILESCCCCNC(=O)C(CC)N(Cc1cccc(OC)c1)C(=O)CC
InChIInChI=1S/C19H30N2O3/c1-5-8-12-20-19(23)17(6-2)21(18(22)7-3)14-15-10-9-11-16(13-15)24-4/h9-11,13,17H,5-8,12,14H2,1-4H3,(H,20,23)
InChIKeySBSIBRUZGLJREU-UHFFFAOYSA-N
XLogP3.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[(3-methoxyphenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]butanamide
CID 132710477
N-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide
CID 132760854
N-butyl-2-[(3-methoxyphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide
CID 132718151
2-[[2-(4-methoxyphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylbutanamide
CID 132664125
(2S)-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylbutanamide
CID 100610257
2-[[2-[N-(benzenesulfonyl)-3-methoxyanilino]acetyl]-[(3-methoxyphenyl)methyl]amino]-N-butylbutanamide
CID 132746018
(2R)-N-butyl-2-[(3-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenylpropanamide
CID 100706391
N-butyl-2-[[2-(3,4-dimethoxy-N-methylsulfonylanilino)acetyl]-[(3-methoxyphenyl)methyl]amino]butanamide
CID 132738067
2-[4-[benzenesulfonyl(methyl)amino]butanoyl-[(3-methoxyphenyl)methyl]amino]-N-butylbutanamide
CID 132730489
(2S)-N-butyl-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 100712142
(2R)-N-butyl-2-[(3-methoxyphenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-3-phenylpropanamide
CID 100713245
(2S)-2-[[2-(4-ethylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylbutanamide
CID 100609821

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide?
The IUPAC name of N-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide (CID 132699965) is N-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide.
What is the SMILES notation for N-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide?
The canonical SMILES for N-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide is CCCCNC(=O)C(CC)N(Cc1cccc(OC)c1)C(=O)CC.
What is the InChIKey of N-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide?
The InChIKey is SBSIBRUZGLJREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-5-8-12-20-19(23)17(6-2)21(18(22)7-3)14-15-10-9-11-16(13-15)24-4/h9-11,13,17H,5-8,12,14H2,1-4H3,(H,20,23).
What are the key properties of N-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide?
N-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide has a molecular weight of 334.46 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide is sourced from PubChem (CID 132699965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).