N-[4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]phenyl]acetamide

C14H22N2O2 — CID 171268646

IUPACN-[4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]phenyl]acetamide
SMILESCCC(C)[C@@H](O)[C@@H](N)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H22N2O2/c1-4-9(2)14(18)13(15)11-5-7-12(8-6-11)16-10(3)17/h5-9,13-14,18H,4,15H2,1-3H3,(H,16,17)/t9?,13-,14+/m0/s1
InChIKeyVMGUIYZCSFGXTN-VOPCEASESA-N
MW250.34 g/mol
LogP2.05
Rot. Bonds5

About N-[4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]phenyl]acetamide

N-[4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]phenyl]acetamide (PubChem CID 171268646) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]phenyl]acetamide
PubChem CID171268646
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]phenyl]acetamide
SMILESCCC(C)[C@@H](O)[C@@H](N)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H22N2O2/c1-4-9(2)14(18)13(15)11-5-7-12(8-6-11)16-10(3)17/h5-9,13-14,18H,4,15H2,1-3H3,(H,16,17)/t9?,13-,14+/m0/s1
InChIKeyVMGUIYZCSFGXTN-VOPCEASESA-N
XLogP2.05
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(1R)-1-amino-2-methylbutyl]phenyl]acetamide;hydrochloride
CID 171206638
(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961
2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide
CID 43702138
(2S,3R)-N-(4-acetamidophenyl)-2-(carbamoylamino)-3-methylpentanamide
CID 2093787
[2-(4-acetamidoanilino)-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7773183
N-[4-(1-amino-2-fluoroethyl)phenyl]acetamide
CID 130059747
N-[4-[(1S)-1-aminobutyl]phenyl]acetamide;hydrochloride
CID 171226181
N-[4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]phenyl]acetamide
CID 171268634
N-[4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]phenyl]acetamide
CID 171262963
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-acetamidobenzoate
CID 7949966
N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride
CID 119261426
(2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylpentanoate
CID 7448572

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]phenyl]acetamide (CID 171268646) is N-[4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]phenyl]acetamide is CCC(C)[C@@H](O)[C@@H](N)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]phenyl]acetamide?
The InChIKey is VMGUIYZCSFGXTN-VOPCEASESA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-9(2)14(18)13(15)11-5-7-12(8-6-11)16-10(3)17/h5-9,13-14,18H,4,15H2,1-3H3,(H,16,17)/t9?,13-,14+/m0/s1.
What are the key properties of N-[4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]phenyl]acetamide?
N-[4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]phenyl]acetamide has a molecular weight of 250.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]phenyl]acetamide is sourced from PubChem (CID 171268646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).