3-amino-N-[2-(3,4-dimethylphenyl)ethyl]butanamide

C14H22N2O — CID 115154307

IUPAC3-amino-N-[2-(3,4-dimethylphenyl)ethyl]butanamide
SMILESCc1ccc(CCNC(=O)CC(C)N)cc1C
InChIInChI=1S/C14H22N2O/c1-10-4-5-13(8-11(10)2)6-7-16-14(17)9-12(3)15/h4-5,8,12H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyKAXZNAVGDIZVKS-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.70
Rot. Bonds5

About 3-amino-N-[2-(3,4-dimethylphenyl)ethyl]butanamide

3-amino-N-[2-(3,4-dimethylphenyl)ethyl]butanamide (PubChem CID 115154307) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-amino-N-[2-(3,4-dimethylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[2-(3,4-dimethylphenyl)ethyl]butanamide
PubChem CID115154307
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-amino-N-[2-(3,4-dimethylphenyl)ethyl]butanamide
SMILESCc1ccc(CCNC(=O)CC(C)N)cc1C
InChIInChI=1S/C14H22N2O/c1-10-4-5-13(8-11(10)2)6-7-16-14(17)9-12(3)15/h4-5,8,12H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyKAXZNAVGDIZVKS-UHFFFAOYSA-N
XLogP1.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(4-ethoxy-3-methylphenyl)ethyl]butanamide
CID 115154337
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 60835659
2-amino-N-[2-(3,4-dimethylphenyl)ethyl]acetamide
CID 82492265
3-amino-N-[2-(4-bromophenyl)ethyl]butanamide;hydrochloride
CID 119709695
3-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]butanamide
CID 115154322
N-[2-(3,4-dimethylphenyl)ethyl]-3-oxobutanamide
CID 115176506
2-amino-3-[2-(3,4-dimethylphenyl)ethylamino]-3-oxopropanoic acid
CID 115179434
2-chloro-N-[2-(3,4-dimethylphenyl)ethyl]propanamide
CID 82110156
3-amino-N-[2-(1,3-benzoxazol-6-yl)ethyl]butanamide
CID 115154356
methyl 3-[2-(3-aminobutanoylamino)ethyl]benzoate;hydrochloride
CID 120873897
3-amino-N-[(3-methoxy-4-methylphenyl)methyl]butanamide
CID 119747528
3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 115154159

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3,4-dimethylphenyl)ethyl]butanamide?
The IUPAC name of 3-amino-N-[2-(3,4-dimethylphenyl)ethyl]butanamide (CID 115154307) is 3-amino-N-[2-(3,4-dimethylphenyl)ethyl]butanamide.
What is the SMILES notation for 3-amino-N-[2-(3,4-dimethylphenyl)ethyl]butanamide?
The canonical SMILES for 3-amino-N-[2-(3,4-dimethylphenyl)ethyl]butanamide is Cc1ccc(CCNC(=O)CC(C)N)cc1C.
What is the InChIKey of 3-amino-N-[2-(3,4-dimethylphenyl)ethyl]butanamide?
The InChIKey is KAXZNAVGDIZVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-4-5-13(8-11(10)2)6-7-16-14(17)9-12(3)15/h4-5,8,12H,6-7,9,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-N-[2-(3,4-dimethylphenyl)ethyl]butanamide?
3-amino-N-[2-(3,4-dimethylphenyl)ethyl]butanamide has a molecular weight of 234.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3,4-dimethylphenyl)ethyl]butanamide is sourced from PubChem (CID 115154307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).