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

C16H26N2O — CID 65264833

IUPAC3-amino-N,2,2,3-tetramethyl-N-[(4-methylphenyl)methyl]butanamide
SMILESCc1ccc(CN(C)C(=O)C(C)(C)C(C)(C)N)cc1
InChIInChI=1S/C16H26N2O/c1-12-7-9-13(10-8-12)11-18(6)14(19)15(2,3)16(4,5)17/h7-10H,11,17H2,1-6H3
InChIKeyQKTNRHNFVSMEKV-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.72
Rot. Bonds4

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

3-amino-N,2,2,3-tetramethyl-N-[(4-methylphenyl)methyl]butanamide (PubChem CID 65264833) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-amino-N,2,2,3-tetramethyl-N-[(4-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-N,2,2,3-tetramethyl-N-[(4-methylphenyl)methyl]butanamide
PubChem CID65264833
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-amino-N,2,2,3-tetramethyl-N-[(4-methylphenyl)methyl]butanamide
SMILESCc1ccc(CN(C)C(=O)C(C)(C)C(C)(C)N)cc1
InChIInChI=1S/C16H26N2O/c1-12-7-9-13(10-8-12)11-18(6)14(19)15(2,3)16(4,5)17/h7-10H,11,17H2,1-6H3
InChIKeyQKTNRHNFVSMEKV-UHFFFAOYSA-N
XLogP2.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2,3-tetramethylbutanamide
CID 65269943
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2,2,3-tetramethylbutanamide
CID 65269415
(2S)-2-amino-N,3,3-trimethyl-N-[(4-methylphenyl)methyl]butanamide;hydrochloride
CID 119681885
4-amino-3,3,4-trimethyl-1-(4-methylphenyl)pentan-2-one
CID 116573662
2-amino-N,2-dimethyl-N-[(4-propylphenyl)methyl]propanamide
CID 115152710
2-(aminomethyl)-N,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentanamide
CID 107471089
2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 2450177
2-bromo-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
CID 43211718
2-amino-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 61266560
3-amino-N,2,2,3-tetramethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 65264344
2-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
CID 119681313
3-amino-N,2,2,3-tetramethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 65267279

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2,2,3-tetramethyl-N-[(4-methylphenyl)methyl]butanamide?
The IUPAC name of 3-amino-N,2,2,3-tetramethyl-N-[(4-methylphenyl)methyl]butanamide (CID 65264833) is 3-amino-N,2,2,3-tetramethyl-N-[(4-methylphenyl)methyl]butanamide.
What is the SMILES notation for 3-amino-N,2,2,3-tetramethyl-N-[(4-methylphenyl)methyl]butanamide?
The canonical SMILES for 3-amino-N,2,2,3-tetramethyl-N-[(4-methylphenyl)methyl]butanamide is Cc1ccc(CN(C)C(=O)C(C)(C)C(C)(C)N)cc1.
What is the InChIKey of 3-amino-N,2,2,3-tetramethyl-N-[(4-methylphenyl)methyl]butanamide?
The InChIKey is QKTNRHNFVSMEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-7-9-13(10-8-12)11-18(6)14(19)15(2,3)16(4,5)17/h7-10H,11,17H2,1-6H3.
What are the key properties of 3-amino-N,2,2,3-tetramethyl-N-[(4-methylphenyl)methyl]butanamide?
3-amino-N,2,2,3-tetramethyl-N-[(4-methylphenyl)methyl]butanamide has a molecular weight of 262.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2,2,3-tetramethyl-N-[(4-methylphenyl)methyl]butanamide is sourced from PubChem (CID 65264833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).