N-(3-aminopropyl)-2-hydroxy-4-methyl-N-phenylbenzamide

C17H20N2O2 — CID 43135936

IUPACN-(3-aminopropyl)-2-hydroxy-4-methyl-N-phenylbenzamide
SMILESCc1ccc(C(=O)N(CCCN)c2ccccc2)c(O)c1
InChIInChI=1S/C17H20N2O2/c1-13-8-9-15(16(20)12-13)17(21)19(11-5-10-18)14-6-3-2-4-7-14/h2-4,6-9,12,20H,5,10-11,18H2,1H3
InChIKeyIUONKUARQLDTSJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.70
Rot. Bonds5

About N-(3-aminopropyl)-2-hydroxy-4-methyl-N-phenylbenzamide

N-(3-aminopropyl)-2-hydroxy-4-methyl-N-phenylbenzamide (PubChem CID 43135936) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-hydroxy-4-methyl-N-phenylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-hydroxy-4-methyl-N-phenylbenzamide
PubChem CID43135936
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(3-aminopropyl)-2-hydroxy-4-methyl-N-phenylbenzamide
SMILESCc1ccc(C(=O)N(CCCN)c2ccccc2)c(O)c1
InChIInChI=1S/C17H20N2O2/c1-13-8-9-15(16(20)12-13)17(21)19(11-5-10-18)14-6-3-2-4-7-14/h2-4,6-9,12,20H,5,10-11,18H2,1H3
InChIKeyIUONKUARQLDTSJ-UHFFFAOYSA-N
XLogP2.70
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2-hydroxy-N-phenylbenzamide
CID 16791949
N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)benzamide
CID 28766933
N-butyl-2-hydroxy-5-methyl-N-phenylbenzamide
CID 60715687
N-(3-aminopropyl)-3-hydroxy-N-phenylpyridine-4-carboxamide
CID 81445429
N-(3-aminopropyl)-3,6-dimethyl-N-phenylpyridazine-4-carboxamide
CID 104668847
N-butyl-4-fluoro-2-hydroxy-N-phenylbenzamide
CID 103889306
N-(3-aminopropyl)-2,3-difluoro-N-phenylbenzamide
CID 62648465
N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)furan-3-carboxamide
CID 43135957
4-[(2-hydroxy-4-methylbenzoyl)-methylamino]butanoic acid
CID 43151825
N-butyl-4-hydroxy-2-methyl-N-phenylbenzamide
CID 103865726
2-(N-(2-hydroxybenzoyl)-4-methylanilino)acetic acid
CID 60831615
3-amino-1-(2-hydroxy-4-methylphenyl)propan-1-one
CID 82600154

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-hydroxy-4-methyl-N-phenylbenzamide?
The IUPAC name of N-(3-aminopropyl)-2-hydroxy-4-methyl-N-phenylbenzamide (CID 43135936) is N-(3-aminopropyl)-2-hydroxy-4-methyl-N-phenylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-2-hydroxy-4-methyl-N-phenylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-2-hydroxy-4-methyl-N-phenylbenzamide is Cc1ccc(C(=O)N(CCCN)c2ccccc2)c(O)c1.
What is the InChIKey of N-(3-aminopropyl)-2-hydroxy-4-methyl-N-phenylbenzamide?
The InChIKey is IUONKUARQLDTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13-8-9-15(16(20)12-13)17(21)19(11-5-10-18)14-6-3-2-4-7-14/h2-4,6-9,12,20H,5,10-11,18H2,1H3.
What are the key properties of N-(3-aminopropyl)-2-hydroxy-4-methyl-N-phenylbenzamide?
N-(3-aminopropyl)-2-hydroxy-4-methyl-N-phenylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-hydroxy-4-methyl-N-phenylbenzamide is sourced from PubChem (CID 43135936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).