N-butyl-2-[(2-hydroxy-1-phenylethyl)amino]acetamide

C14H22N2O2 — CID 63182961

IUPACN-butyl-2-[(2-hydroxy-1-phenylethyl)amino]acetamide
SMILESCCCCNC(=O)CNC(CO)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-2-3-9-15-14(18)10-16-13(11-17)12-7-5-4-6-8-12/h4-8,13,16-17H,2-3,9-11H2,1H3,(H,15,18)
InChIKeyJYVSPTKREMSICR-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.23
Rot. Bonds8

About N-butyl-2-[(2-hydroxy-1-phenylethyl)amino]acetamide

N-butyl-2-[(2-hydroxy-1-phenylethyl)amino]acetamide (PubChem CID 63182961) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-butyl-2-[(2-hydroxy-1-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[(2-hydroxy-1-phenylethyl)amino]acetamide
PubChem CID63182961
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-butyl-2-[(2-hydroxy-1-phenylethyl)amino]acetamide
SMILESCCCCNC(=O)CNC(CO)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-2-3-9-15-14(18)10-16-13(11-17)12-7-5-4-6-8-12/h4-8,13,16-17H,2-3,9-11H2,1H3,(H,15,18)
InChIKeyJYVSPTKREMSICR-UHFFFAOYSA-N
XLogP1.23
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.23
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

2-[(2-hydroxy-1-phenylethyl)amino]-N-(3-methylbutyl)acetamide
CID 63183041
1-butyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 94740192
1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 59924188
N-(2-methoxyethyl)-2-(1-phenylpropylamino)acetamide
CID 54845797
N-(2,6-dimethylphenyl)-2-[(2-hydroxy-1-phenylethyl)amino]acetamide
CID 110012993
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
N-butyl-2-[[[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
CID 18088700
N-butyl-2-(1-hydroxybutan-2-ylamino)acetamide
CID 60671634
N-butyl-2-hydroxy-2-phenylacetamide
CID 15353717
N-butyl-2-phenylpropanamide
CID 101453557
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(3-phenylpropyl)acetamide
CID 9263745
N-butyl-2-(2-hydroxyphenyl)sulfanylacetamide
CID 62028199

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(2-hydroxy-1-phenylethyl)amino]acetamide?
The IUPAC name of N-butyl-2-[(2-hydroxy-1-phenylethyl)amino]acetamide (CID 63182961) is N-butyl-2-[(2-hydroxy-1-phenylethyl)amino]acetamide.
What is the SMILES notation for N-butyl-2-[(2-hydroxy-1-phenylethyl)amino]acetamide?
The canonical SMILES for N-butyl-2-[(2-hydroxy-1-phenylethyl)amino]acetamide is CCCCNC(=O)CNC(CO)c1ccccc1.
What is the InChIKey of N-butyl-2-[(2-hydroxy-1-phenylethyl)amino]acetamide?
The InChIKey is JYVSPTKREMSICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-3-9-15-14(18)10-16-13(11-17)12-7-5-4-6-8-12/h4-8,13,16-17H,2-3,9-11H2,1H3,(H,15,18).
What are the key properties of N-butyl-2-[(2-hydroxy-1-phenylethyl)amino]acetamide?
N-butyl-2-[(2-hydroxy-1-phenylethyl)amino]acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.23, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(2-hydroxy-1-phenylethyl)amino]acetamide is sourced from PubChem (CID 63182961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).