2-amino-3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide

C14H22N2O — CID 81356918

IUPAC2-amino-3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
SMILESCc1ccc([C@@H](C)NC(=O)C(N)C(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-9(2)13(15)14(17)16-11(4)12-7-5-10(3)6-8-12/h5-9,11,13H,15H2,1-4H3,(H,16,17)/t11-,13?/m1/s1
InChIKeyINQXVEYYVMVALZ-JTDNENJMSA-N
MW234.34 g/mol
LogP2.16
Rot. Bonds4

About 2-amino-3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide

2-amino-3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide (PubChem CID 81356918) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
PubChem CID81356918
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-amino-3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
SMILESCc1ccc([C@@H](C)NC(=O)C(N)C(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-9(2)13(15)14(17)16-11(4)12-7-5-10(3)6-8-12/h5-9,11,13H,15H2,1-4H3,(H,16,17)/t11-,13?/m1/s1
InChIKeyINQXVEYYVMVALZ-JTDNENJMSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-3-methyl-N-[1-(4-methylphenyl)ethyl]butanamide
CID 79012258
(2R)-2-amino-3-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 81357169
(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
CID 61147129
(2S)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359997
(2S)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3-methylbutanamide
CID 61155319
(2S)-2-amino-3,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 81356570
(2R)-2-amino-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 81410169
2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylbutanamide
CID 43695581
2-amino-3-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride
CID 119267840
(2R)-2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]-2-phenylacetamide
CID 81357033
3-amino-2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 81356180
(2R)-2-amino-N-[1-(4-methylphenyl)ethyl]pentanamide
CID 103794630

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide?
The IUPAC name of 2-amino-3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide (CID 81356918) is 2-amino-3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide?
The canonical SMILES for 2-amino-3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide is Cc1ccc([C@@H](C)NC(=O)C(N)C(C)C)cc1.
What is the InChIKey of 2-amino-3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide?
The InChIKey is INQXVEYYVMVALZ-JTDNENJMSA-N. The full InChI is InChI=1S/C14H22N2O/c1-9(2)13(15)14(17)16-11(4)12-7-5-10(3)6-8-12/h5-9,11,13H,15H2,1-4H3,(H,16,17)/t11-,13?/m1/s1.
What are the key properties of 2-amino-3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide?
2-amino-3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide has a molecular weight of 234.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide is sourced from PubChem (CID 81356918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).