3-amino-N-[(3-methoxy-4-methylphenyl)methyl]butanamide

C13H20N2O2 — CID 119747528

IUPAC3-amino-N-[(3-methoxy-4-methylphenyl)methyl]butanamide
SMILESCOc1cc(CNC(=O)CC(C)N)ccc1C
InChIInChI=1S/C13H20N2O2/c1-9-4-5-11(7-12(9)17-3)8-15-13(16)6-10(2)14/h4-5,7,10H,6,8,14H2,1-3H3,(H,15,16)
InChIKeyNFLYOQNPNUISIA-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.36
Rot. Bonds5

About 3-amino-N-[(3-methoxy-4-methylphenyl)methyl]butanamide

3-amino-N-[(3-methoxy-4-methylphenyl)methyl]butanamide (PubChem CID 119747528) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-amino-N-[(3-methoxy-4-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[(3-methoxy-4-methylphenyl)methyl]butanamide
PubChem CID119747528
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-amino-N-[(3-methoxy-4-methylphenyl)methyl]butanamide
SMILESCOc1cc(CNC(=O)CC(C)N)ccc1C
InChIInChI=1S/C13H20N2O2/c1-9-4-5-11(7-12(9)17-3)8-15-13(16)6-10(2)14/h4-5,7,10H,6,8,14H2,1-3H3,(H,15,16)
InChIKeyNFLYOQNPNUISIA-UHFFFAOYSA-N
XLogP1.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 115154159
3-amino-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 60836849
3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]butanamide
CID 115154174
3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide
CID 119715981
2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide
CID 166403835
3-amino-N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]butanamide
CID 119734347
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 60835659
3-amino-N-[(3-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119678228
2-amino-N-[(3-methoxy-4-methylphenyl)methyl]pentanamide;hydrochloride
CID 119302579
3-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide
CID 115154214
3-amino-N-[2-(3,4-dimethylphenyl)ethyl]butanamide
CID 115154307
3-amino-N-[(4-hydroxyphenyl)methyl]butanamide
CID 114332164

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-methoxy-4-methylphenyl)methyl]butanamide?
The IUPAC name of 3-amino-N-[(3-methoxy-4-methylphenyl)methyl]butanamide (CID 119747528) is 3-amino-N-[(3-methoxy-4-methylphenyl)methyl]butanamide.
What is the SMILES notation for 3-amino-N-[(3-methoxy-4-methylphenyl)methyl]butanamide?
The canonical SMILES for 3-amino-N-[(3-methoxy-4-methylphenyl)methyl]butanamide is COc1cc(CNC(=O)CC(C)N)ccc1C.
What is the InChIKey of 3-amino-N-[(3-methoxy-4-methylphenyl)methyl]butanamide?
The InChIKey is NFLYOQNPNUISIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-4-5-11(7-12(9)17-3)8-15-13(16)6-10(2)14/h4-5,7,10H,6,8,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-N-[(3-methoxy-4-methylphenyl)methyl]butanamide?
3-amino-N-[(3-methoxy-4-methylphenyl)methyl]butanamide has a molecular weight of 236.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-methoxy-4-methylphenyl)methyl]butanamide is sourced from PubChem (CID 119747528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).