N-(4-hydroxy-2-phenylpentyl)-4-(methylamino)butanamide;hydrochloride

C16H27ClN2O2 — CID 119821967

IUPACN-(4-hydroxy-2-phenylpentyl)-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCC(CC(C)O)c1ccccc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-13(19)11-15(14-7-4-3-5-8-14)12-18-16(20)9-6-10-17-2;/h3-5,7-8,13,15,17,19H,6,9-12H2,1-2H3,(H,18,20);1H
InChIKeyZRUKPMPOQPDCPL-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.08
Rot. Bonds9

About N-(4-hydroxy-2-phenylpentyl)-4-(methylamino)butanamide;hydrochloride

N-(4-hydroxy-2-phenylpentyl)-4-(methylamino)butanamide;hydrochloride (PubChem CID 119821967) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is N-(4-hydroxy-2-phenylpentyl)-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-hydroxy-2-phenylpentyl)-4-(methylamino)butanamide;hydrochloride
PubChem CID119821967
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC NameN-(4-hydroxy-2-phenylpentyl)-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCC(CC(C)O)c1ccccc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-13(19)11-15(14-7-4-3-5-8-14)12-18-16(20)9-6-10-17-2;/h3-5,7-8,13,15,17,19H,6,9-12H2,1-2H3,(H,18,20);1H
InChIKeyZRUKPMPOQPDCPL-UHFFFAOYSA-N
XLogP2.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(4-hydroxy-2-phenylpentyl)pentanamide
CID 120564094
3-(2-aminophenyl)-N-(4-hydroxy-2-phenylpentyl)propanamide;hydrochloride
CID 120611894
N-[2-(diethylamino)-2-phenylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119399175
tert-butyl N-[(2S,4R)-4-hydroxy-2-phenylpentyl]carbamate
CID 97086612
2-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylpropanamide;hydrochloride
CID 119345419
2-amino-N-(4-hydroxy-2-phenylpentyl)pentanamide;hydrochloride
CID 119345437
5-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylbenzamide;hydrochloride
CID 120639082
4-phenylheptane-2,6-diol
CID 173150769
2-[4-(methylamino)butanoylamino]-2-phenylacetic acid
CID 61157870
N-(2,3-dimethylbutyl)-4-(methylamino)butanamide;hydrochloride
CID 119796498
N-(4-hydroxy-2-phenylpentyl)-3-oxocyclobutane-1-carboxamide
CID 110004037
N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide
CID 63183611

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-phenylpentyl)-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-(4-hydroxy-2-phenylpentyl)-4-(methylamino)butanamide;hydrochloride (CID 119821967) is N-(4-hydroxy-2-phenylpentyl)-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-(4-hydroxy-2-phenylpentyl)-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-(4-hydroxy-2-phenylpentyl)-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)NCC(CC(C)O)c1ccccc1.Cl.
What is the InChIKey of N-(4-hydroxy-2-phenylpentyl)-4-(methylamino)butanamide;hydrochloride?
The InChIKey is ZRUKPMPOQPDCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-13(19)11-15(14-7-4-3-5-8-14)12-18-16(20)9-6-10-17-2;/h3-5,7-8,13,15,17,19H,6,9-12H2,1-2H3,(H,18,20);1H.
What are the key properties of N-(4-hydroxy-2-phenylpentyl)-4-(methylamino)butanamide;hydrochloride?
N-(4-hydroxy-2-phenylpentyl)-4-(methylamino)butanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.08, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-phenylpentyl)-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119821967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).