3-(4-aminophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide

C15H22N2O2 — CID 104502203

IUPAC3-(4-aminophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide
SMILESCC(CC(=O)N(CCO)C1CC1)c1ccc(N)cc1
InChIInChI=1S/C15H22N2O2/c1-11(12-2-4-13(16)5-3-12)10-15(19)17(8-9-18)14-6-7-14/h2-5,11,14,18H,6-10,16H2,1H3
InChIKeyVLBAVOJAOFIDFW-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.75
Rot. Bonds6

About 3-(4-aminophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide

3-(4-aminophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide (PubChem CID 104502203) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide
PubChem CID104502203
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(4-aminophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide
SMILESCC(CC(=O)N(CCO)C1CC1)c1ccc(N)cc1
InChIInChI=1S/C15H22N2O2/c1-11(12-2-4-13(16)5-3-12)10-15(19)17(8-9-18)14-6-7-14/h2-5,11,14,18H,6-10,16H2,1H3
InChIKeyVLBAVOJAOFIDFW-UHFFFAOYSA-N
XLogP1.75
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-aminophenyl)-N-(5-hydroxypentyl)-N-methylbutanamide
CID 107199352
3-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]butanamide
CID 104502586
3-(4-aminophenyl)-N-methyl-N-(2-methylcyclohexyl)butanamide
CID 104502286
3-(4-aminophenyl)-N-(cyclopropylmethyl)-N-propylbutanamide
CID 104502211
3-(4-aminophenyl)-N,N-dipropylbutanamide
CID 104501970
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylbutanamide
CID 104502632
2-[3-(4-aminophenyl)butanoyl-(carboxymethyl)amino]acetic acid
CID 104502627
3-(4-aminophenyl)-1-cyclopentylbutan-1-one
CID 116612653
3-(4-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylbutanamide
CID 104502633
3-(4-aminophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutanamide
CID 104502770
4-amino-N-cyclobutyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 102862103
3-(4-aminophenyl)-N-(2,2-dimethylpropyl)-N-methylbutanamide
CID 104502518

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide?
The IUPAC name of 3-(4-aminophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide (CID 104502203) is 3-(4-aminophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide is CC(CC(=O)N(CCO)C1CC1)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide?
The InChIKey is VLBAVOJAOFIDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(12-2-4-13(16)5-3-12)10-15(19)17(8-9-18)14-6-7-14/h2-5,11,14,18H,6-10,16H2,1H3.
What are the key properties of 3-(4-aminophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide?
3-(4-aminophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide has a molecular weight of 262.35 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide is sourced from PubChem (CID 104502203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).