N-(3-amino-3-phenylpropyl)-3-hydroxy-4-methylbenzamide

C17H20N2O2 — CID 80507148

IUPACN-(3-amino-3-phenylpropyl)-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCC(N)c2ccccc2)cc1O
InChIInChI=1S/C17H20N2O2/c1-12-7-8-14(11-16(12)20)17(21)19-10-9-15(18)13-5-3-2-4-6-13/h2-8,11,15,20H,9-10,18H2,1H3,(H,19,21)
InChIKeyAAEABSJLNYLBKN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.52
Rot. Bonds5

About N-(3-amino-3-phenylpropyl)-3-hydroxy-4-methylbenzamide

N-(3-amino-3-phenylpropyl)-3-hydroxy-4-methylbenzamide (PubChem CID 80507148) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(3-amino-3-phenylpropyl)-3-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-3-phenylpropyl)-3-hydroxy-4-methylbenzamide
PubChem CID80507148
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(3-amino-3-phenylpropyl)-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCC(N)c2ccccc2)cc1O
InChIInChI=1S/C17H20N2O2/c1-12-7-8-14(11-16(12)20)17(21)19-10-9-15(18)13-5-3-2-4-6-13/h2-8,11,15,20H,9-10,18H2,1H3,(H,19,21)
InChIKeyAAEABSJLNYLBKN-UHFFFAOYSA-N
XLogP2.52
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
N-(3-amino-3-phenylpropyl)-3,5-dihydroxybenzamide
CID 107705147
N-(3-amino-3-phenylpropyl)-3-bromobenzamide
CID 80506719
N-(3-amino-3-phenylpropyl)-3-fluorobenzamide
CID 80506781
N-(3-amino-3-phenylpropyl)-4-chloro-3-fluorobenzamide
CID 107990677
N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide
CID 63120465
N-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide
CID 63120380
3-hydroxy-N-(2-hydroxyethyl)-4-methylbenzamide
CID 43416195
3-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62664549
N-(3-amino-3-phenylpropyl)-2-ethylbutanamide
CID 80506593
N-(3-amino-3-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 80506645
N-(3-amino-3-phenylpropyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104671658

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-phenylpropyl)-3-hydroxy-4-methylbenzamide?
The IUPAC name of N-(3-amino-3-phenylpropyl)-3-hydroxy-4-methylbenzamide (CID 80507148) is N-(3-amino-3-phenylpropyl)-3-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(3-amino-3-phenylpropyl)-3-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(3-amino-3-phenylpropyl)-3-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NCCC(N)c2ccccc2)cc1O.
What is the InChIKey of N-(3-amino-3-phenylpropyl)-3-hydroxy-4-methylbenzamide?
The InChIKey is AAEABSJLNYLBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-7-8-14(11-16(12)20)17(21)19-10-9-15(18)13-5-3-2-4-6-13/h2-8,11,15,20H,9-10,18H2,1H3,(H,19,21).
What are the key properties of N-(3-amino-3-phenylpropyl)-3-hydroxy-4-methylbenzamide?
N-(3-amino-3-phenylpropyl)-3-hydroxy-4-methylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-phenylpropyl)-3-hydroxy-4-methylbenzamide is sourced from PubChem (CID 80507148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).