4-amino-N,3,3-trimethyl-N-[(2-methylphenyl)methyl]butanamide

C15H24N2O — CID 115157383

IUPAC4-amino-N,3,3-trimethyl-N-[(2-methylphenyl)methyl]butanamide
SMILESCc1ccccc1CN(C)C(=O)CC(C)(C)CN
InChIInChI=1S/C15H24N2O/c1-12-7-5-6-8-13(12)10-17(4)14(18)9-15(2,3)11-16/h5-8H,9-11,16H2,1-4H3
InChIKeyMHOQUUUZCQXBDN-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.33
Rot. Bonds5

About 4-amino-N,3,3-trimethyl-N-[(2-methylphenyl)methyl]butanamide

4-amino-N,3,3-trimethyl-N-[(2-methylphenyl)methyl]butanamide (PubChem CID 115157383) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-amino-N,3,3-trimethyl-N-[(2-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N,3,3-trimethyl-N-[(2-methylphenyl)methyl]butanamide
PubChem CID115157383
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-amino-N,3,3-trimethyl-N-[(2-methylphenyl)methyl]butanamide
SMILESCc1ccccc1CN(C)C(=O)CC(C)(C)CN
InChIInChI=1S/C15H24N2O/c1-12-7-5-6-8-13(12)10-17(4)14(18)9-15(2,3)11-16/h5-8H,9-11,16H2,1-4H3
InChIKeyMHOQUUUZCQXBDN-UHFFFAOYSA-N
XLogP2.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[(2,5-dimethylphenyl)methyl]-N,3,3-trimethylbutanamide
CID 115157370
2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 16769161
3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231590
4-amino-N-[2-(2-fluorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 115157456
3-(tert-butylamino)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 60849544
2-methyl-2-[methyl-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid
CID 62822661
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 43578823
4-amino-N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 115157372
ethyl 2-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanoate
CID 115128855
3-amino-N,2,2-trimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 115154766
3-amino-3-hydroxyimino-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 55135540
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide
CID 79652872

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,3,3-trimethyl-N-[(2-methylphenyl)methyl]butanamide?
The IUPAC name of 4-amino-N,3,3-trimethyl-N-[(2-methylphenyl)methyl]butanamide (CID 115157383) is 4-amino-N,3,3-trimethyl-N-[(2-methylphenyl)methyl]butanamide.
What is the SMILES notation for 4-amino-N,3,3-trimethyl-N-[(2-methylphenyl)methyl]butanamide?
The canonical SMILES for 4-amino-N,3,3-trimethyl-N-[(2-methylphenyl)methyl]butanamide is Cc1ccccc1CN(C)C(=O)CC(C)(C)CN.
What is the InChIKey of 4-amino-N,3,3-trimethyl-N-[(2-methylphenyl)methyl]butanamide?
The InChIKey is MHOQUUUZCQXBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-7-5-6-8-13(12)10-17(4)14(18)9-15(2,3)11-16/h5-8H,9-11,16H2,1-4H3.
What are the key properties of 4-amino-N,3,3-trimethyl-N-[(2-methylphenyl)methyl]butanamide?
4-amino-N,3,3-trimethyl-N-[(2-methylphenyl)methyl]butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,3,3-trimethyl-N-[(2-methylphenyl)methyl]butanamide is sourced from PubChem (CID 115157383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).