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

C14H22N2O — CID 79013185

IUPAC(2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide
SMILESCc1cccc(CCNC(=O)[C@H](N)C(C)C)c1
InChIInChI=1S/C14H22N2O/c1-10(2)13(15)14(17)16-8-7-12-6-4-5-11(3)9-12/h4-6,9-10,13H,7-8,15H2,1-3H3,(H,16,17)/t13-/m1/s1
InChIKeyDDRJJXBLYQJJCI-CYBMUJFWSA-N
MW234.34 g/mol
LogP1.64
Rot. Bonds5

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

(2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide (PubChem CID 79013185) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide
PubChem CID79013185
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide
SMILESCc1cccc(CCNC(=O)[C@H](N)C(C)C)c1
InChIInChI=1S/C14H22N2O/c1-10(2)13(15)14(17)16-8-7-12-6-4-5-11(3)9-12/h4-6,9-10,13H,7-8,15H2,1-3H3,(H,16,17)/t13-/m1/s1
InChIKeyDDRJJXBLYQJJCI-CYBMUJFWSA-N
XLogP1.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 62315395
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide
CID 43566282
3-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]benzoic acid
CID 63794615
2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119270589
2-chloro-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314292
methyl 2-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]-3-(3-methylphenyl)propanoate;hydrochloride
CID 119320346
2-bromo-N-[2-(3-methylphenyl)ethyl]butanamide
CID 62855844
(2S)-2-amino-N-[2-(3-methylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119301513
(2S)-2-amino-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 94689619
(2R)-2-amino-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 79013339
3-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide
CID 110838222
3-[2-(3-methylphenyl)ethyl]-1,1-bis(2-methylpropyl)urea
CID 108900811

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide (CID 79013185) is (2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide is Cc1cccc(CCNC(=O)[C@H](N)C(C)C)c1.
What is the InChIKey of (2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide?
The InChIKey is DDRJJXBLYQJJCI-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)13(15)14(17)16-8-7-12-6-4-5-11(3)9-12/h4-6,9-10,13H,7-8,15H2,1-3H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide?
(2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide has a molecular weight of 234.34 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide is sourced from PubChem (CID 79013185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).