N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyrrolidin-1-ylpropylamino)methyl]benzamide

C27H31N3O2 — CID 25159050

IUPACN-(2-hydroxy-5-phenylphenyl)-4-[(3-pyrrolidin-1-ylpropylamino)methyl]benzamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCCCN2CCCC2)cc1
InChIInChI=1S/C27H31N3O2/c31-26-14-13-24(22-7-2-1-3-8-22)19-25(26)29-27(32)23-11-9-21(10-12-23)20-28-15-6-18-30-16-4-5-17-30/h1-3,7-14,19,28,31H,4-6,15-18,20H2,(H,29,32)
InChIKeyOUDIFHGFTNXHBD-UHFFFAOYSA-N
MW429.56 g/mol
LogP4.89
Rot. Bonds9

About N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyrrolidin-1-ylpropylamino)methyl]benzamide

N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyrrolidin-1-ylpropylamino)methyl]benzamide (PubChem CID 25159050) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyrrolidin-1-ylpropylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-phenylphenyl)-4-[(3-pyrrolidin-1-ylpropylamino)methyl]benzamide
PubChem CID25159050
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC NameN-(2-hydroxy-5-phenylphenyl)-4-[(3-pyrrolidin-1-ylpropylamino)methyl]benzamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCCCN2CCCC2)cc1
InChIInChI=1S/C27H31N3O2/c31-26-14-13-24(22-7-2-1-3-8-22)19-25(26)29-27(32)23-11-9-21(10-12-23)20-28-15-6-18-30-16-4-5-17-30/h1-3,7-14,19,28,31H,4-6,15-18,20H2,(H,29,32)
InChIKeyOUDIFHGFTNXHBD-UHFFFAOYSA-N
XLogP4.89
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-5-phenylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 59627322
4-(1,3-dihydroisoindol-2-ylmethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide
CID 25155163
N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 25159052
4-[(2-pyrrolidin-1-ylethylamino)methyl]benzoic acid
CID 55097521
N-benzyl-6-piperidin-1-ylhexan-1-amine
CID 54404338
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
3-piperidin-1-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propan-1-amine
CID 58788403
2-[[2-hydroxy-5-(piperidin-1-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid
CID 58508690
4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide
CID 59736811
N-[4-hydroxy-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide
CID 123997655
2-methoxy-4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 28657716
tert-butyl N-[2-[[4-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]benzoyl]amino]phenyl]carbamate
CID 58001102

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyrrolidin-1-ylpropylamino)methyl]benzamide?
The IUPAC name of N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyrrolidin-1-ylpropylamino)methyl]benzamide (CID 25159050) is N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyrrolidin-1-ylpropylamino)methyl]benzamide.
What is the SMILES notation for N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyrrolidin-1-ylpropylamino)methyl]benzamide?
The canonical SMILES for N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyrrolidin-1-ylpropylamino)methyl]benzamide is O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCCCN2CCCC2)cc1.
What is the InChIKey of N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyrrolidin-1-ylpropylamino)methyl]benzamide?
The InChIKey is OUDIFHGFTNXHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c31-26-14-13-24(22-7-2-1-3-8-22)19-25(26)29-27(32)23-11-9-21(10-12-23)20-28-15-6-18-30-16-4-5-17-30/h1-3,7-14,19,28,31H,4-6,15-18,20H2,(H,29,32).
What are the key properties of N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyrrolidin-1-ylpropylamino)methyl]benzamide?
N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyrrolidin-1-ylpropylamino)methyl]benzamide has a molecular weight of 429.56 g/mol, XLogP of 4.89, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyrrolidin-1-ylpropylamino)methyl]benzamide is sourced from PubChem (CID 25159050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).