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

C19H30N2O3 — CID 132760854

IUPACN-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide
SMILESCCC(=O)N(Cc1cccc(OC)c1)C(CC)C(=O)NC(C)(C)C
InChIInChI=1S/C19H30N2O3/c1-7-16(18(23)20-19(3,4)5)21(17(22)8-2)13-14-10-9-11-15(12-14)24-6/h9-12,16H,7-8,13H2,1-6H3,(H,20,23)
InChIKeyXUJFINDDXGBQMT-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.13
Rot. Bonds7

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

N-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide (PubChem CID 132760854) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide
PubChem CID132760854
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide
SMILESCCC(=O)N(Cc1cccc(OC)c1)C(CC)C(=O)NC(C)(C)C
InChIInChI=1S/C19H30N2O3/c1-7-16(18(23)20-19(3,4)5)21(17(22)8-2)13-14-10-9-11-15(12-14)24-6/h9-12,16H,7-8,13H2,1-6H3,(H,20,23)
InChIKeyXUJFINDDXGBQMT-UHFFFAOYSA-N
XLogP3.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

N-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]-3-phenylpropanamide
CID 133198206
N-tert-butyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]butanamide
CID 132610261
N-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide
CID 132699965
N-tert-butyl-2-[(3-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]butanamide
CID 132613397
N-tert-butyl-2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]butanamide
CID 132614198
N-tert-butyl-2-[[2-[(2-fluorophenyl)methylsulfanyl]acetyl]-[(3-methoxyphenyl)methyl]amino]butanamide
CID 132614129
N-tert-butyl-2-[4-(1,3-dioxoisoindol-2-yl)butanoyl-[(3-methoxyphenyl)methyl]amino]butanamide
CID 132618554
2-[[2-[N-(benzenesulfonyl)-3-methoxyanilino]acetyl]-[(3-methoxyphenyl)methyl]amino]-N-tert-butylbutanamide
CID 132632185
2-[3-(1,3-benzodioxol-5-yl)propanoyl-[(3-methoxyphenyl)methyl]amino]-N-tert-butylbutanamide
CID 132613350
N-tert-butyl-2-[4-(4-chlorophenyl)sulfanylbutanoyl-[(3-methoxyphenyl)methyl]amino]butanamide
CID 132618120
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(3-methoxyphenyl)methyl]amino]-N-tert-butylbutanamide
CID 132625363
N-tert-butyl-2-[[2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(3-methoxyphenyl)methyl]amino]butanamide
CID 132634698

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide?
The IUPAC name of N-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide (CID 132760854) is N-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide.
What is the SMILES notation for N-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide?
The canonical SMILES for N-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide is CCC(=O)N(Cc1cccc(OC)c1)C(CC)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide?
The InChIKey is XUJFINDDXGBQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-7-16(18(23)20-19(3,4)5)21(17(22)8-2)13-14-10-9-11-15(12-14)24-6/h9-12,16H,7-8,13H2,1-6H3,(H,20,23).
What are the key properties of N-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide?
N-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide has a molecular weight of 334.46 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide is sourced from PubChem (CID 132760854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).