N-[3-(1-aminoethyl)phenyl]-3,5-dihydroxybenzamide

C15H16N2O3 — CID 107702970

IUPACN-[3-(1-aminoethyl)phenyl]-3,5-dihydroxybenzamide
SMILESCC(N)c1cccc(NC(=O)c2cc(O)cc(O)c2)c1
InChIInChI=1S/C15H16N2O3/c1-9(16)10-3-2-4-12(5-10)17-15(20)11-6-13(18)8-14(19)7-11/h2-9,18-19H,16H2,1H3,(H,17,20)
InChIKeyXXVDRPDYZZWVDA-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.37
Rot. Bonds3

About N-[3-(1-aminoethyl)phenyl]-3,5-dihydroxybenzamide

N-[3-(1-aminoethyl)phenyl]-3,5-dihydroxybenzamide (PubChem CID 107702970) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[3-(1-aminoethyl)phenyl]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[3-(1-aminoethyl)phenyl]-3,5-dihydroxybenzamide
PubChem CID107702970
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-[3-(1-aminoethyl)phenyl]-3,5-dihydroxybenzamide
SMILESCC(N)c1cccc(NC(=O)c2cc(O)cc(O)c2)c1
InChIInChI=1S/C15H16N2O3/c1-9(16)10-3-2-4-12(5-10)17-15(20)11-6-13(18)8-14(19)7-11/h2-9,18-19H,16H2,1H3,(H,17,20)
InChIKeyXXVDRPDYZZWVDA-UHFFFAOYSA-N
XLogP2.37
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1-aminoethyl)phenyl]-3-fluorobenzamide
CID 16792077
N-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide
CID 16782541
N-[3-(1-aminoethyl)phenyl]-2-methylbenzamide
CID 16788845
N-[3-(1-aminoethyl)phenyl]-2,3-difluorobenzamide
CID 62650803
N-[3-(1-aminoethyl)phenyl]pyridine-2-carboxamide
CID 16785087
N-[3-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide
CID 63048072
2-[[3-(1-aminoethyl)phenyl]carbamoylamino]-N-propan-2-ylacetamide
CID 61341683
N-[3-(1-aminoethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 114022569
N-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide
CID 16796065
N-[3-(1-aminoethyl)phenyl]cyclopentanecarboxamide
CID 16787772
1-[3-(1-aminoethyl)phenyl]-3-propylurea
CID 43210542
3,5-dimethoxy-N-(3-propan-2-ylphenyl)benzamide
CID 24636290

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-aminoethyl)phenyl]-3,5-dihydroxybenzamide?
The IUPAC name of N-[3-(1-aminoethyl)phenyl]-3,5-dihydroxybenzamide (CID 107702970) is N-[3-(1-aminoethyl)phenyl]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[3-(1-aminoethyl)phenyl]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[3-(1-aminoethyl)phenyl]-3,5-dihydroxybenzamide is CC(N)c1cccc(NC(=O)c2cc(O)cc(O)c2)c1.
What is the InChIKey of N-[3-(1-aminoethyl)phenyl]-3,5-dihydroxybenzamide?
The InChIKey is XXVDRPDYZZWVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9(16)10-3-2-4-12(5-10)17-15(20)11-6-13(18)8-14(19)7-11/h2-9,18-19H,16H2,1H3,(H,17,20).
What are the key properties of N-[3-(1-aminoethyl)phenyl]-3,5-dihydroxybenzamide?
N-[3-(1-aminoethyl)phenyl]-3,5-dihydroxybenzamide has a molecular weight of 272.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-aminoethyl)phenyl]-3,5-dihydroxybenzamide is sourced from PubChem (CID 107702970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).