2-amino-N-(4-hydroxy-2-phenylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride

C19H25ClN2O2 — CID 120668549

IUPAC2-amino-N-(4-hydroxy-2-phenylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(C(N)C(=O)NCC(CCO)c2ccccc2)cc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-14-7-9-16(10-8-14)18(20)19(23)21-13-17(11-12-22)15-5-3-2-4-6-15;/h2-10,17-18,22H,11-13,20H2,1H3,(H,21,23);1H
InChIKeyHTXJMQUTZVFUEQ-UHFFFAOYSA-N
MW348.87 g/mol
LogP2.70
Rot. Bonds7

About 2-amino-N-(4-hydroxy-2-phenylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride

2-amino-N-(4-hydroxy-2-phenylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride (PubChem CID 120668549) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 2-amino-N-(4-hydroxy-2-phenylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(4-hydroxy-2-phenylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride
PubChem CID120668549
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name2-amino-N-(4-hydroxy-2-phenylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(C(N)C(=O)NCC(CCO)c2ccccc2)cc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-14-7-9-16(10-8-14)18(20)19(23)21-13-17(11-12-22)15-5-3-2-4-6-15;/h2-10,17-18,22H,11-13,20H2,1H3,(H,21,23);1H
InChIKeyHTXJMQUTZVFUEQ-UHFFFAOYSA-N
XLogP2.70
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-2-phenylacetamide
CID 106116650
2-amino-2-(4-methylphenyl)-N-[2-(4-methylphenyl)propyl]acetamide
CID 120668682
1-(4-hydroxy-2-phenylbutyl)-3-(2-methoxy-5-methylphenyl)urea
CID 111452697
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide
CID 93083385
3-amino-N-(4-hydroxy-2-phenylbutyl)-3-phenylpropanamide
CID 119951620
2-amino-N-(3-anilinopropyl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669990
2-amino-N-(2-hydroxy-3-methylbutyl)-2-(4-methylphenyl)acetamide
CID 114172133
4-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanoic acid
CID 81073197
(2S)-2-amino-N-(2,3-dihydroxypropyl)-2-phenylacetamide
CID 104898061
1-(4-hydroxy-2-phenylbutyl)-3-[(3-methylphenyl)methyl]urea
CID 111450411
(2S)-2-amino-N-(2-hydroxypentyl)-2-phenylacetamide
CID 104898437
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-hydroxy-2-phenylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(4-hydroxy-2-phenylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride (CID 120668549) is 2-amino-N-(4-hydroxy-2-phenylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(4-hydroxy-2-phenylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(4-hydroxy-2-phenylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride is Cc1ccc(C(N)C(=O)NCC(CCO)c2ccccc2)cc1.Cl.
What is the InChIKey of 2-amino-N-(4-hydroxy-2-phenylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride?
The InChIKey is HTXJMQUTZVFUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/c1-14-7-9-16(10-8-14)18(20)19(23)21-13-17(11-12-22)15-5-3-2-4-6-15;/h2-10,17-18,22H,11-13,20H2,1H3,(H,21,23);1H.
What are the key properties of 2-amino-N-(4-hydroxy-2-phenylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride?
2-amino-N-(4-hydroxy-2-phenylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 2.70, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-hydroxy-2-phenylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 120668549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).