(2S,3S)-2-amino-N-[(2-hydroxyphenyl)methyl]-N,3-dimethylpentanamide

C14H22N2O2 — CID 61164001

IUPAC(2S,3S)-2-amino-N-[(2-hydroxyphenyl)methyl]-N,3-dimethylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(C)Cc1ccccc1O
InChIInChI=1S/C14H22N2O2/c1-4-10(2)13(15)14(18)16(3)9-11-7-5-6-8-12(11)17/h5-8,10,13,17H,4,9,15H2,1-3H3/t10-,13-/m0/s1
InChIKeyXWUDTMQVKVYWJX-GWCFXTLKSA-N
MW250.34 g/mol
LogP1.72
Rot. Bonds5

About (2S,3S)-2-amino-N-[(2-hydroxyphenyl)methyl]-N,3-dimethylpentanamide

(2S,3S)-2-amino-N-[(2-hydroxyphenyl)methyl]-N,3-dimethylpentanamide (PubChem CID 61164001) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-[(2-hydroxyphenyl)methyl]-N,3-dimethylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-[(2-hydroxyphenyl)methyl]-N,3-dimethylpentanamide
PubChem CID61164001
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2S,3S)-2-amino-N-[(2-hydroxyphenyl)methyl]-N,3-dimethylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(C)Cc1ccccc1O
InChIInChI=1S/C14H22N2O2/c1-4-10(2)13(15)14(18)16(3)9-11-7-5-6-8-12(11)17/h5-8,10,13,17H,4,9,15H2,1-3H3/t10-,13-/m0/s1
InChIKeyXWUDTMQVKVYWJX-GWCFXTLKSA-N
XLogP1.72
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]pentanamide
CID 61154727
2-amino-N,3-dimethyl-N-[(2-nitrophenyl)methyl]pentanamide
CID 60945232
(2S,3S)-2-amino-N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164196
(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpentanamide
CID 61173739
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylpentanamide
CID 119764798
2-amino-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54873662
(2R)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 79011463
(2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide
CID 61155588
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide
CID 61174614
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpentanamide
CID 54869576
(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)pentanamide
CID 61172289
2-amino-N-[(2-chloro-5-nitrophenyl)methyl]-N,3-dimethylpentanamide
CID 119696303

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-[(2-hydroxyphenyl)methyl]-N,3-dimethylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-[(2-hydroxyphenyl)methyl]-N,3-dimethylpentanamide (CID 61164001) is (2S,3S)-2-amino-N-[(2-hydroxyphenyl)methyl]-N,3-dimethylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-[(2-hydroxyphenyl)methyl]-N,3-dimethylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-[(2-hydroxyphenyl)methyl]-N,3-dimethylpentanamide is CC[C@H](C)[C@H](N)C(=O)N(C)Cc1ccccc1O.
What is the InChIKey of (2S,3S)-2-amino-N-[(2-hydroxyphenyl)methyl]-N,3-dimethylpentanamide?
The InChIKey is XWUDTMQVKVYWJX-GWCFXTLKSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-10(2)13(15)14(18)16(3)9-11-7-5-6-8-12(11)17/h5-8,10,13,17H,4,9,15H2,1-3H3/t10-,13-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-[(2-hydroxyphenyl)methyl]-N,3-dimethylpentanamide?
(2S,3S)-2-amino-N-[(2-hydroxyphenyl)methyl]-N,3-dimethylpentanamide has a molecular weight of 250.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-[(2-hydroxyphenyl)methyl]-N,3-dimethylpentanamide is sourced from PubChem (CID 61164001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).