(2R)-2-amino-3,3-dimethyl-N-(2-propylphenyl)butanamide

C15H24N2O — CID 103928701

IUPAC(2R)-2-amino-3,3-dimethyl-N-(2-propylphenyl)butanamide
SMILESCCCc1ccccc1NC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C15H24N2O/c1-5-8-11-9-6-7-10-12(11)17-14(18)13(16)15(2,3)4/h6-7,9-10,13H,5,8,16H2,1-4H3,(H,17,18)/t13-/m0/s1
InChIKeyFCWSVXXZMFLFDX-ZDUSSCGKSA-N
MW248.37 g/mol
LogP2.95
Rot. Bonds4

About (2R)-2-amino-3,3-dimethyl-N-(2-propylphenyl)butanamide

(2R)-2-amino-3,3-dimethyl-N-(2-propylphenyl)butanamide (PubChem CID 103928701) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-(2-propylphenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-(2-propylphenyl)butanamide
PubChem CID103928701
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-(2-propylphenyl)butanamide
SMILESCCCc1ccccc1NC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C15H24N2O/c1-5-8-11-9-6-7-10-12(11)17-14(18)13(16)15(2,3)4/h6-7,9-10,13H,5,8,16H2,1-4H3,(H,17,18)/t13-/m0/s1
InChIKeyFCWSVXXZMFLFDX-ZDUSSCGKSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]propanoic acid
CID 107273592
2-[2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]acetic acid
CID 62535737
2-amino-4-methyl-N-(2-propylphenyl)pentanamide
CID 43703952
2-amino-N-(2-ethylsulfonylphenyl)-3,3-dimethylbutanamide
CID 76892969
(2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670466
(2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide
CID 61148878
3-amino-2-methyl-3-phenyl-N-(2-propylphenyl)propanamide
CID 119705368
2-amino-2-(4-methylphenyl)-N-(2-propylphenyl)acetamide
CID 106312114
ethane;N-(2-propylphenyl)acetamide
CID 142804217
2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]benzamide
CID 61148588
2,3-dimethyl-4-oxo-4-(2-propylanilino)butanoic acid
CID 103497022
(2S)-2-amino-N-[2-(dimethylamino)phenyl]-3,3-dimethylbutanamide
CID 61179694

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(2-propylphenyl)butanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(2-propylphenyl)butanamide (CID 103928701) is (2R)-2-amino-3,3-dimethyl-N-(2-propylphenyl)butanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-(2-propylphenyl)butanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-(2-propylphenyl)butanamide is CCCc1ccccc1NC(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-(2-propylphenyl)butanamide?
The InChIKey is FCWSVXXZMFLFDX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-8-11-9-6-7-10-12(11)17-14(18)13(16)15(2,3)4/h6-7,9-10,13H,5,8,16H2,1-4H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-(2-propylphenyl)butanamide?
(2R)-2-amino-3,3-dimethyl-N-(2-propylphenyl)butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-N-(2-propylphenyl)butanamide is sourced from PubChem (CID 103928701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).