N-[(3-aminophenyl)methyl]-4-hydroxy-N-propan-2-ylbenzamide

C17H20N2O2 — CID 43460181

IUPACN-[(3-aminophenyl)methyl]-4-hydroxy-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1cccc(N)c1)C(=O)c1ccc(O)cc1
InChIInChI=1S/C17H20N2O2/c1-12(2)19(11-13-4-3-5-15(18)10-13)17(21)14-6-8-16(20)9-7-14/h3-10,12,20H,11,18H2,1-2H3
InChIKeyOTOZCHQEFGFFHQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.03
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-4-hydroxy-N-propan-2-ylbenzamide

N-[(3-aminophenyl)methyl]-4-hydroxy-N-propan-2-ylbenzamide (PubChem CID 43460181) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-4-hydroxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-4-hydroxy-N-propan-2-ylbenzamide
PubChem CID43460181
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[(3-aminophenyl)methyl]-4-hydroxy-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1cccc(N)c1)C(=O)c1ccc(O)cc1
InChIInChI=1S/C17H20N2O2/c1-12(2)19(11-13-4-3-5-15(18)10-13)17(21)14-6-8-16(20)9-7-14/h3-10,12,20H,11,18H2,1-2H3
InChIKeyOTOZCHQEFGFFHQ-UHFFFAOYSA-N
XLogP3.03
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.03
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

N-[(3-aminophenyl)methyl]-3-fluoro-N-propan-2-ylbenzamide
CID 43460200
N-[(3-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 43460190
N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridazine-4-carboxamide
CID 104669124
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]-N-propan-2-ylbenzamide
CID 46989736
N-[(3-aminophenyl)methyl]-N-propan-2-ylthiadiazole-4-carboxamide
CID 65214123
N-[(3-aminophenyl)methyl]-2,5-dibromo-N-propan-2-ylthiophene-3-carboxamide
CID 107959331
N-[(3-aminophenyl)methyl]-3-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 107516858
N-[(3-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 43460178
1-[(3-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea
CID 62700032
N-[(3-chlorophenyl)methyl]-4-methylsulfonyl-N-propan-2-ylbenzamide
CID 86927045
3-amino-N-ethyl-N-propan-2-ylbenzamide;hydrochloride
CID 119705659
N-benzyl-4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 30099628

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-4-hydroxy-N-propan-2-ylbenzamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-4-hydroxy-N-propan-2-ylbenzamide (CID 43460181) is N-[(3-aminophenyl)methyl]-4-hydroxy-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-4-hydroxy-N-propan-2-ylbenzamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-4-hydroxy-N-propan-2-ylbenzamide is CC(C)N(Cc1cccc(N)c1)C(=O)c1ccc(O)cc1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-4-hydroxy-N-propan-2-ylbenzamide?
The InChIKey is OTOZCHQEFGFFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(2)19(11-13-4-3-5-15(18)10-13)17(21)14-6-8-16(20)9-7-14/h3-10,12,20H,11,18H2,1-2H3.
What are the key properties of N-[(3-aminophenyl)methyl]-4-hydroxy-N-propan-2-ylbenzamide?
N-[(3-aminophenyl)methyl]-4-hydroxy-N-propan-2-ylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-4-hydroxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 43460181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).