2-amino-3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butanamide

C16H26N2O — CID 76888023

IUPAC2-amino-3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butanamide
SMILESCC(C)C(NC(=O)C(N)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-11(2)13(12-9-7-6-8-10-12)18-15(19)14(17)16(3,4)5/h6-11,13-14H,17H2,1-5H3,(H,18,19)
InChIKeyHDHOKPWDKXQSNG-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.87
Rot. Bonds4

About 2-amino-3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butanamide

2-amino-3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butanamide (PubChem CID 76888023) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butanamide.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butanamide
PubChem CID76888023
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-amino-3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butanamide
SMILESCC(C)C(NC(=O)C(N)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-11(2)13(12-9-7-6-8-10-12)18-15(19)14(17)16(3,4)5/h6-11,13-14H,17H2,1-5H3,(H,18,19)
InChIKeyHDHOKPWDKXQSNG-UHFFFAOYSA-N
XLogP2.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2-methyl-1-phenylpropyl)propanamide;hydrochloride
CID 119273389
3-amino-4-[(2-methyl-1-phenylpropyl)amino]-4-oxobutanoic acid
CID 64896854
2-chloro-N-(2-methyl-1-phenylpropyl)propanamide
CID 43346667
(2S)-2-amino-N-[(1S,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-1,2-diphenylethyl]-3-methylbutanamide
CID 56956524
2-amino-N-(3,3-dimethyl-1-phenylbutyl)-3,3-dimethylbutanamide
CID 76893437
4-amino-2-methyl-N-(2-methyl-1-phenylpropyl)butanamide
CID 80543438
(2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide
CID 122080430
(2R)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 113353325
2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 76893024
(2S)-2-amino-N-(2,2-dimethyl-1-phenylpropyl)propanamide;hydrochloride
CID 119290104
(2S)-2-amino-3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 61178572
2-amino-N-(2-methyl-1-phenylpropyl)acetamide;hydrochloride
CID 119273385

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butanamide?
The IUPAC name of 2-amino-3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butanamide (CID 76888023) is 2-amino-3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butanamide.
What is the SMILES notation for 2-amino-3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butanamide?
The canonical SMILES for 2-amino-3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butanamide is CC(C)C(NC(=O)C(N)C(C)(C)C)c1ccccc1.
What is the InChIKey of 2-amino-3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butanamide?
The InChIKey is HDHOKPWDKXQSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11(2)13(12-9-7-6-8-10-12)18-15(19)14(17)16(3,4)5/h6-11,13-14H,17H2,1-5H3,(H,18,19).
What are the key properties of 2-amino-3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butanamide?
2-amino-3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butanamide has a molecular weight of 262.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butanamide is sourced from PubChem (CID 76888023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).