3-amino-N-benzyl-N-(2,2-dimethylpropyl)butanamide

C16H26N2O — CID 119774602

IUPAC3-amino-N-benzyl-N-(2,2-dimethylpropyl)butanamide
SMILESCC(N)CC(=O)N(Cc1ccccc1)CC(C)(C)C
InChIInChI=1S/C16H26N2O/c1-13(17)10-15(19)18(12-16(2,3)4)11-14-8-6-5-7-9-14/h5-9,13H,10-12,17H2,1-4H3
InChIKeyVTCPPBATFUGPEZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.80
Rot. Bonds5

About 3-amino-N-benzyl-N-(2,2-dimethylpropyl)butanamide

3-amino-N-benzyl-N-(2,2-dimethylpropyl)butanamide (PubChem CID 119774602) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-amino-N-benzyl-N-(2,2-dimethylpropyl)butanamide.

Molecular Properties

Compound Name3-amino-N-benzyl-N-(2,2-dimethylpropyl)butanamide
PubChem CID119774602
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-amino-N-benzyl-N-(2,2-dimethylpropyl)butanamide
SMILESCC(N)CC(=O)N(Cc1ccccc1)CC(C)(C)C
InChIInChI=1S/C16H26N2O/c1-13(17)10-15(19)18(12-16(2,3)4)11-14-8-6-5-7-9-14/h5-9,13H,10-12,17H2,1-4H3
InChIKeyVTCPPBATFUGPEZ-UHFFFAOYSA-N
XLogP2.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-benzyl-N-(2-phenylethyl)butanamide
CID 119675960
3-amino-N-benzyl-N-propylbutanamide;hydrochloride
CID 119681635
ethyl 2-[3-aminobutanoyl(benzyl)amino]acetate
CID 120873605
(3R,4R)-N,N,N',N'-tetrabenzyl-3,4-dimethylhexanediamide
CID 100939572
3-amino-N-benzyl-N-phenylbutanamide
CID 61260730
4-amino-N-benzyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 81075244
[(2S)-2-aminopropyl]-benzylcarbamic acid;2,2,2-trifluoroacetic acid
CID 138610897
2-amino-N-benzyl-N-(2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792183
3-amino-N-[(4-methylphenyl)methyl]-N-propylbutanamide
CID 54869448
3-amino-N-[(3-bromophenyl)methyl]-N-ethylbutanamide
CID 119722122
3-amino-N-(2-phenylethyl)-N-prop-2-enylbutanamide
CID 119752351
3-(aminomethyl)-N,N-dibenzylpentanamide
CID 130162934

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-N-(2,2-dimethylpropyl)butanamide?
The IUPAC name of 3-amino-N-benzyl-N-(2,2-dimethylpropyl)butanamide (CID 119774602) is 3-amino-N-benzyl-N-(2,2-dimethylpropyl)butanamide.
What is the SMILES notation for 3-amino-N-benzyl-N-(2,2-dimethylpropyl)butanamide?
The canonical SMILES for 3-amino-N-benzyl-N-(2,2-dimethylpropyl)butanamide is CC(N)CC(=O)N(Cc1ccccc1)CC(C)(C)C.
What is the InChIKey of 3-amino-N-benzyl-N-(2,2-dimethylpropyl)butanamide?
The InChIKey is VTCPPBATFUGPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(17)10-15(19)18(12-16(2,3)4)11-14-8-6-5-7-9-14/h5-9,13H,10-12,17H2,1-4H3.
What are the key properties of 3-amino-N-benzyl-N-(2,2-dimethylpropyl)butanamide?
3-amino-N-benzyl-N-(2,2-dimethylpropyl)butanamide has a molecular weight of 262.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-N-(2,2-dimethylpropyl)butanamide is sourced from PubChem (CID 119774602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).