N-(4-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide

C15H25N3O2 — CID 79383773

IUPACN-(4-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide
SMILESCN(CCCC(=O)Nc1ccc(N)cc1)CC(C)(C)O
InChIInChI=1S/C15H25N3O2/c1-15(2,20)11-18(3)10-4-5-14(19)17-13-8-6-12(16)7-9-13/h6-9,20H,4-5,10-11,16H2,1-3H3,(H,17,19)
InChIKeyNRRRDQCCDPPHKO-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.69
Rot. Bonds7

About N-(4-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide

N-(4-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide (PubChem CID 79383773) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide
PubChem CID79383773
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-(4-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide
SMILESCN(CCCC(=O)Nc1ccc(N)cc1)CC(C)(C)O
InChIInChI=1S/C15H25N3O2/c1-15(2,20)11-18(3)10-4-5-14(19)17-13-8-6-12(16)7-9-13/h6-9,20H,4-5,10-11,16H2,1-3H3,(H,17,19)
InChIKeyNRRRDQCCDPPHKO-UHFFFAOYSA-N
XLogP1.69
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide
CID 79385176
N-(4-aminophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 60890401
N-(4-aminophenyl)-4-[2-ethoxyethyl(methyl)amino]butanamide
CID 81053044
N-(4-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide
CID 43569623
N-(4-aminophenyl)-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43374573
N-(4-aminophenyl)-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43374496
N-(4-aminophenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide
CID 115985414
4-amino-N-(4-aminophenyl)butanamide
CID 90105668
N-(4-aminophenyl)-3-[methyl(2-methylsulfonylethyl)amino]propanamide
CID 79844997
4-[(2-amino-2-oxoethyl)-ethylamino]-N-(4-aminophenyl)butanamide
CID 103101347
4-[[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]benzamide
CID 78964466
N-[4-(4-aminophenyl)phenyl]pentanamide
CID 90390735

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide?
The IUPAC name of N-(4-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide (CID 79383773) is N-(4-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide.
What is the SMILES notation for N-(4-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide?
The canonical SMILES for N-(4-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide is CN(CCCC(=O)Nc1ccc(N)cc1)CC(C)(C)O.
What is the InChIKey of N-(4-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide?
The InChIKey is NRRRDQCCDPPHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2,20)11-18(3)10-4-5-14(19)17-13-8-6-12(16)7-9-13/h6-9,20H,4-5,10-11,16H2,1-3H3,(H,17,19).
What are the key properties of N-(4-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide?
N-(4-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide has a molecular weight of 279.38 g/mol, XLogP of 1.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide is sourced from PubChem (CID 79383773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).