4-amino-N-[(2,5-dimethylphenyl)methyl]-3-methylbutanamide

C14H22N2O — CID 115156350

IUPAC4-amino-N-[(2,5-dimethylphenyl)methyl]-3-methylbutanamide
SMILESCc1ccc(C)c(CNC(=O)CC(C)CN)c1
InChIInChI=1S/C14H22N2O/c1-10-4-5-12(3)13(6-10)9-16-14(17)7-11(2)8-15/h4-6,11H,7-9,15H2,1-3H3,(H,16,17)
InChIKeyCIEORIWXLZADAV-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.90
Rot. Bonds5

About 4-amino-N-[(2,5-dimethylphenyl)methyl]-3-methylbutanamide

4-amino-N-[(2,5-dimethylphenyl)methyl]-3-methylbutanamide (PubChem CID 115156350) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-amino-N-[(2,5-dimethylphenyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(2,5-dimethylphenyl)methyl]-3-methylbutanamide
PubChem CID115156350
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-amino-N-[(2,5-dimethylphenyl)methyl]-3-methylbutanamide
SMILESCc1ccc(C)c(CNC(=O)CC(C)CN)c1
InChIInChI=1S/C14H22N2O/c1-10-4-5-12(3)13(6-10)9-16-14(17)7-11(2)8-15/h4-6,11H,7-9,15H2,1-3H3,(H,16,17)
InChIKeyCIEORIWXLZADAV-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[(2-ethylphenyl)methyl]-3-methylbutanamide
CID 81079151
(2,5-dimethylphenyl)methylcarbamic acid
CID 67570724
N'-[(2,5-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198457
4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-3-methylbutanamide
CID 115156460
N-[(2,5-dimethylphenyl)methyl]acetamide
CID 759326
1-[(2,5-dimethylphenyl)methyl]-3-propan-2-ylurea
CID 110774794
3-bromo-N-[(2,5-dimethylphenyl)methyl]propanamide
CID 82109130
1-amino-3-[(2,5-dimethylphenyl)methyl]urea
CID 115192596
4-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
CID 81084192
2-[(2,5-dimethylphenyl)methylamino]ethylurea
CID 83111203
4-amino-N-[(4-hydroxyphenyl)methyl]-3-methylbutanamide
CID 114332207
ethyl 2-[(2,5-dimethylphenyl)methylamino]propanoate
CID 54960586

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2,5-dimethylphenyl)methyl]-3-methylbutanamide?
The IUPAC name of 4-amino-N-[(2,5-dimethylphenyl)methyl]-3-methylbutanamide (CID 115156350) is 4-amino-N-[(2,5-dimethylphenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-[(2,5-dimethylphenyl)methyl]-3-methylbutanamide?
The canonical SMILES for 4-amino-N-[(2,5-dimethylphenyl)methyl]-3-methylbutanamide is Cc1ccc(C)c(CNC(=O)CC(C)CN)c1.
What is the InChIKey of 4-amino-N-[(2,5-dimethylphenyl)methyl]-3-methylbutanamide?
The InChIKey is CIEORIWXLZADAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-4-5-12(3)13(6-10)9-16-14(17)7-11(2)8-15/h4-6,11H,7-9,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-N-[(2,5-dimethylphenyl)methyl]-3-methylbutanamide?
4-amino-N-[(2,5-dimethylphenyl)methyl]-3-methylbutanamide has a molecular weight of 234.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2,5-dimethylphenyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 115156350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).