N-(3-amino-3-phenylpropyl)-3,5-dihydroxybenzamide

C16H18N2O3 — CID 107705147

IUPACN-(3-amino-3-phenylpropyl)-3,5-dihydroxybenzamide
SMILESNC(CCNC(=O)c1cc(O)cc(O)c1)c1ccccc1
InChIInChI=1S/C16H18N2O3/c17-15(11-4-2-1-3-5-11)6-7-18-16(21)12-8-13(19)10-14(20)9-12/h1-5,8-10,15,19-20H,6-7,17H2,(H,18,21)
InChIKeyCAFMEEQYBJVXSS-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.92
Rot. Bonds5

About N-(3-amino-3-phenylpropyl)-3,5-dihydroxybenzamide

N-(3-amino-3-phenylpropyl)-3,5-dihydroxybenzamide (PubChem CID 107705147) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(3-amino-3-phenylpropyl)-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(3-amino-3-phenylpropyl)-3,5-dihydroxybenzamide
PubChem CID107705147
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(3-amino-3-phenylpropyl)-3,5-dihydroxybenzamide
SMILESNC(CCNC(=O)c1cc(O)cc(O)c1)c1ccccc1
InChIInChI=1S/C16H18N2O3/c17-15(11-4-2-1-3-5-11)6-7-18-16(21)12-8-13(19)10-14(20)9-12/h1-5,8-10,15,19-20H,6-7,17H2,(H,18,21)
InChIKeyCAFMEEQYBJVXSS-UHFFFAOYSA-N
XLogP1.92
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
N-(3-amino-3-phenylpropyl)-3-hydroxy-4-methylbenzamide
CID 80507148
N-(3-amino-3-phenylpropyl)-3-fluorobenzamide
CID 80506781
N-(3-amino-3-phenylpropyl)-3-bromobenzamide
CID 80506719
N-(3-amino-3-phenylpropyl)-4-chloro-3-fluorobenzamide
CID 107990677
N-(3-amino-3-phenylpropyl)-2-ethylbutanamide
CID 80506593
N-(3-amino-3-phenylpropyl)-2,5-dichlorobenzamide
CID 80507130
N-(3-amino-3-phenylpropyl)thiophene-2-carboxamide
CID 80506792
N-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide
CID 80506852
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
N-(3-amino-3-phenylpropyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104671658
3,5-dihydroxy-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540088

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-phenylpropyl)-3,5-dihydroxybenzamide?
The IUPAC name of N-(3-amino-3-phenylpropyl)-3,5-dihydroxybenzamide (CID 107705147) is N-(3-amino-3-phenylpropyl)-3,5-dihydroxybenzamide.
What is the SMILES notation for N-(3-amino-3-phenylpropyl)-3,5-dihydroxybenzamide?
The canonical SMILES for N-(3-amino-3-phenylpropyl)-3,5-dihydroxybenzamide is NC(CCNC(=O)c1cc(O)cc(O)c1)c1ccccc1.
What is the InChIKey of N-(3-amino-3-phenylpropyl)-3,5-dihydroxybenzamide?
The InChIKey is CAFMEEQYBJVXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c17-15(11-4-2-1-3-5-11)6-7-18-16(21)12-8-13(19)10-14(20)9-12/h1-5,8-10,15,19-20H,6-7,17H2,(H,18,21).
What are the key properties of N-(3-amino-3-phenylpropyl)-3,5-dihydroxybenzamide?
N-(3-amino-3-phenylpropyl)-3,5-dihydroxybenzamide has a molecular weight of 286.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-phenylpropyl)-3,5-dihydroxybenzamide is sourced from PubChem (CID 107705147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).