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

C14H22N2O — CID 79011463

IUPAC(2R)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
SMILESCc1ccccc1CN(C)C(=O)[C@H](N)C(C)C
InChIInChI=1S/C14H22N2O/c1-10(2)13(15)14(17)16(4)9-12-8-6-5-7-11(12)3/h5-8,10,13H,9,15H2,1-4H3/t13-/m1/s1
InChIKeyUHKHPOAUYUKVTI-CYBMUJFWSA-N
MW234.34 g/mol
LogP1.94
Rot. Bonds4

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

(2R)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide (PubChem CID 79011463) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2R)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
PubChem CID79011463
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2R)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
SMILESCc1ccccc1CN(C)C(=O)[C@H](N)C(C)C
InChIInChI=1S/C14H22N2O/c1-10(2)13(15)14(17)16(4)9-12-8-6-5-7-11(12)3/h5-8,10,13H,9,15H2,1-4H3/t13-/m1/s1
InChIKeyUHKHPOAUYUKVTI-CYBMUJFWSA-N
XLogP1.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]pentanamide
CID 61154727
(2S)-2-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 61163337
2-amino-N-cyclopropyl-3-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 77144458
2-amino-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54873662
N-methyl-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
CID 134028542
(2S,3S)-2-amino-N-[(2-hydroxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164001
(2R)-2-amino-N,3-dimethyl-N-(naphthalen-2-ylmethyl)butanamide
CID 79013131
3-methyl-2-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]sulfanylbutanoic acid
CID 105354282
2-butoxy-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 48652357
2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 16769161
(2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 79011600
2-[2-[(2-amino-3-methylbutanoyl)-methylamino]ethyl]benzoic acid
CID 104548293

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide?
The IUPAC name of (2R)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide (CID 79011463) is (2R)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide.
What is the SMILES notation for (2R)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide?
The canonical SMILES for (2R)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide is Cc1ccccc1CN(C)C(=O)[C@H](N)C(C)C.
What is the InChIKey of (2R)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide?
The InChIKey is UHKHPOAUYUKVTI-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)13(15)14(17)16(4)9-12-8-6-5-7-11(12)3/h5-8,10,13H,9,15H2,1-4H3/t13-/m1/s1.
What are the key properties of (2R)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide?
(2R)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide has a molecular weight of 234.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide is sourced from PubChem (CID 79011463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).