2-(4-aminophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide

C15H22N2O2 — CID 80556787

IUPAC2-(4-aminophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide
SMILESCC(C)(C(=O)NCC(O)C1CC1)c1ccc(N)cc1
InChIInChI=1S/C15H22N2O2/c1-15(2,11-5-7-12(16)8-6-11)14(19)17-9-13(18)10-3-4-10/h5-8,10,13,18H,3-4,9,16H2,1-2H3,(H,17,19)
InChIKeyZUHUTSIQOCYWQP-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.43
Rot. Bonds5

About 2-(4-aminophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide

2-(4-aminophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide (PubChem CID 80556787) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide
PubChem CID80556787
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(4-aminophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide
SMILESCC(C)(C(=O)NCC(O)C1CC1)c1ccc(N)cc1
InChIInChI=1S/C15H22N2O2/c1-15(2,11-5-7-12(16)8-6-11)14(19)17-9-13(18)10-3-4-10/h5-8,10,13,18H,3-4,9,16H2,1-2H3,(H,17,19)
InChIKeyZUHUTSIQOCYWQP-UHFFFAOYSA-N
XLogP1.43
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-(2-hydroxy-3-methoxypropyl)-2-methylpropanamide
CID 80556294
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide
CID 63297255
2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide
CID 80556154
2-(4-aminophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propanamide
CID 107295913
3-[[[2-(4-aminophenyl)-2-methylpropanoyl]amino]methyl]pentanoic acid
CID 81065786
2-(4-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-methylpropanamide
CID 80556063
2-amino-N-(2-cyclohexyl-2-hydroxyethyl)-2-phenylpropanamide
CID 120589210
2-(4-aminophenyl)-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]propanamide
CID 80556153
2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide
CID 68786932
3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid
CID 115427853
2-(4-aminophenyl)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpropanamide
CID 80555501
2-(4-aminophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]-2-methylpropanamide
CID 80554939

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide (CID 80556787) is 2-(4-aminophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide is CC(C)(C(=O)NCC(O)C1CC1)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide?
The InChIKey is ZUHUTSIQOCYWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,11-5-7-12(16)8-6-11)14(19)17-9-13(18)10-3-4-10/h5-8,10,13,18H,3-4,9,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(4-aminophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide?
2-(4-aminophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide has a molecular weight of 262.35 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide is sourced from PubChem (CID 80556787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).