(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide

C13H20N2O2 — CID 67015275

IUPAC(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C13H20N2O2/c1-2-3-4-12(14)13(17)15-9-10-5-7-11(16)8-6-10/h5-8,12,16H,2-4,9,14H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeySCPRIKOWFXJSJK-LBPRGKRZSA-N
MW236.31 g/mol
LogP1.53
Rot. Bonds6

About (2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide

(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide (PubChem CID 67015275) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide
PubChem CID67015275
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C13H20N2O2/c1-2-3-4-12(14)13(17)15-9-10-5-7-11(16)8-6-10/h5-8,12,16H,2-4,9,14H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeySCPRIKOWFXJSJK-LBPRGKRZSA-N
XLogP1.53
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]hexanamide
CID 103831064
2-amino-N-[(2-ethylphenyl)methyl]hexanamide
CID 64682652
2-amino-N-benzylpentanamide
CID 11020044
(2S)-2-amino-N-[(3-bromophenyl)methyl]hexanamide
CID 103831227
(2S)-2-amino-N-[(4-propan-2-ylphenyl)methyl]pentanamide
CID 107569508
2-amino-3-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 76892661
(2S)-2-amino-3-(4-hydroxyphenyl)-N-octan-4-ylpropanamide
CID 106025742
2-amino-N-[(4-hydroxyphenyl)methyl]pent-4-enamide
CID 114332131
2-amino-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride
CID 119302802
2-amino-N-[(2-bromophenyl)methyl]hexanamide
CID 61402483
(2S)-2-amino-N-[(3-propylphenyl)methyl]heptanamide
CID 118439878
(2R)-2-amino-N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 104904605

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide (CID 67015275) is (2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide is CCCC[C@H](N)C(=O)NCc1ccc(O)cc1.
What is the InChIKey of (2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide?
The InChIKey is SCPRIKOWFXJSJK-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-3-4-12(14)13(17)15-9-10-5-7-11(16)8-6-10/h5-8,12,16H,2-4,9,14H2,1H3,(H,15,17)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide?
(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide has a molecular weight of 236.31 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide is sourced from PubChem (CID 67015275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).