2-amino-2-methyl-N-(3-propan-2-ylphenyl)butanamide

C14H22N2O — CID 79797513

IUPAC2-amino-2-methyl-N-(3-propan-2-ylphenyl)butanamide
SMILESCCC(C)(N)C(=O)Nc1cccc(C(C)C)c1
InChIInChI=1S/C14H22N2O/c1-5-14(4,15)13(17)16-12-8-6-7-11(9-12)10(2)3/h6-10H,5,15H2,1-4H3,(H,16,17)
InChIKeyMEHOYVFYYHETTQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.88
Rot. Bonds4

About 2-amino-2-methyl-N-(3-propan-2-ylphenyl)butanamide

2-amino-2-methyl-N-(3-propan-2-ylphenyl)butanamide (PubChem CID 79797513) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-amino-2-methyl-N-(3-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-(3-propan-2-ylphenyl)butanamide
PubChem CID79797513
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-amino-2-methyl-N-(3-propan-2-ylphenyl)butanamide
SMILESCCC(C)(N)C(=O)Nc1cccc(C(C)C)c1
InChIInChI=1S/C14H22N2O/c1-5-14(4,15)13(17)16-12-8-6-7-11(9-12)10(2)3/h6-10H,5,15H2,1-4H3,(H,16,17)
InChIKeyMEHOYVFYYHETTQ-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-oxo-3-(3-propan-2-ylanilino)propanoic acid
CID 82821169
2-amino-2-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 79804776
2-amino-N-(3-cyanophenyl)-2-methylbutanamide
CID 79796861
2-methyl-2-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 13309478
2-amino-N-[3-(methoxymethyl)phenyl]-2-methylbutanamide
CID 79796724
2-amino-N-(3-propan-2-ylphenyl)pentanamide
CID 43650216
(2S)-2-amino-3,3-dimethyl-N-(3-propan-2-ylphenyl)butanamide;hydrochloride
CID 119686872
ethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate
CID 43385028
N-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide
CID 93090529
3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 21491914
3-oxo-3-(3-propan-2-ylanilino)propanoic acid
CID 62230571
2-ethylsulfonyl-N-(3-propan-2-ylphenyl)acetamide
CID 47207398

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-(3-propan-2-ylphenyl)butanamide?
The IUPAC name of 2-amino-2-methyl-N-(3-propan-2-ylphenyl)butanamide (CID 79797513) is 2-amino-2-methyl-N-(3-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 2-amino-2-methyl-N-(3-propan-2-ylphenyl)butanamide?
The canonical SMILES for 2-amino-2-methyl-N-(3-propan-2-ylphenyl)butanamide is CCC(C)(N)C(=O)Nc1cccc(C(C)C)c1.
What is the InChIKey of 2-amino-2-methyl-N-(3-propan-2-ylphenyl)butanamide?
The InChIKey is MEHOYVFYYHETTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-14(4,15)13(17)16-12-8-6-7-11(9-12)10(2)3/h6-10H,5,15H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-2-methyl-N-(3-propan-2-ylphenyl)butanamide?
2-amino-2-methyl-N-(3-propan-2-ylphenyl)butanamide has a molecular weight of 234.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-(3-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 79797513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).