3-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylpropanamide

C15H24N2O2 — CID 62878005

IUPAC3-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylpropanamide
SMILESCCCCN(CCO)C(=O)C(CN)c1ccccc1
InChIInChI=1S/C15H24N2O2/c1-2-3-9-17(10-11-18)15(19)14(12-16)13-7-5-4-6-8-13/h4-8,14,18H,2-3,9-12,16H2,1H3
InChIKeyOTNOUMVDANUOIF-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.35
Rot. Bonds8

About 3-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylpropanamide

3-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylpropanamide (PubChem CID 62878005) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylpropanamide
PubChem CID62878005
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylpropanamide
SMILESCCCCN(CCO)C(=O)C(CN)c1ccccc1
InChIInChI=1S/C15H24N2O2/c1-2-3-9-17(10-11-18)15(19)14(12-16)13-7-5-4-6-8-13/h4-8,14,18H,2-3,9-12,16H2,1H3
InChIKeyOTNOUMVDANUOIF-UHFFFAOYSA-N
XLogP1.35
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylacetamide
CID 54870866
3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
3-amino-N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62876798
3-amino-N,N-dibutyl-2-phenyl-3-sulfanylidenepropanamide
CID 62876706
(2S)-3-amino-N,N-dimethyl-2-phenylpropanamide
CID 94888711
3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenylpropanamide
CID 62878882
2-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-phenylacetamide
CID 60946442
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylbutanamide
CID 107482538
3-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-phenylpropanamide
CID 62879070
N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)butanamide
CID 107358308
1-amino-2-phenylundecan-3-one
CID 116566909
3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide
CID 62879219

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylpropanamide?
The IUPAC name of 3-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylpropanamide (CID 62878005) is 3-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylpropanamide is CCCCN(CCO)C(=O)C(CN)c1ccccc1.
What is the InChIKey of 3-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylpropanamide?
The InChIKey is OTNOUMVDANUOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-3-9-17(10-11-18)15(19)14(12-16)13-7-5-4-6-8-13/h4-8,14,18H,2-3,9-12,16H2,1H3.
What are the key properties of 3-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylpropanamide?
3-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylpropanamide has a molecular weight of 264.37 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylpropanamide is sourced from PubChem (CID 62878005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).