N-(2-hydroxy-2-phenylethyl)-4-[3-(2-methylpyrrolidin-1-yl)propoxy]benzamide

C23H30N2O3 — CID 91007127

IUPACN-(2-hydroxy-2-phenylethyl)-4-[3-(2-methylpyrrolidin-1-yl)propoxy]benzamide
SMILESCC1CCCN1CCCOc1ccc(C(=O)NCC(O)c2ccccc2)cc1
InChIInChI=1S/C23H30N2O3/c1-18-7-5-14-25(18)15-6-16-28-21-12-10-20(11-13-21)23(27)24-17-22(26)19-8-3-2-4-9-19/h2-4,8-13,18,22,26H,5-7,14-17H2,1H3,(H,24,27)
InChIKeyRCRCWOPMBVQCOG-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.40
Rot. Bonds9

About N-(2-hydroxy-2-phenylethyl)-4-[3-(2-methylpyrrolidin-1-yl)propoxy]benzamide

N-(2-hydroxy-2-phenylethyl)-4-[3-(2-methylpyrrolidin-1-yl)propoxy]benzamide (PubChem CID 91007127) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-4-[3-(2-methylpyrrolidin-1-yl)propoxy]benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-4-[3-(2-methylpyrrolidin-1-yl)propoxy]benzamide
PubChem CID91007127
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-(2-hydroxy-2-phenylethyl)-4-[3-(2-methylpyrrolidin-1-yl)propoxy]benzamide
SMILESCC1CCCN1CCCOc1ccc(C(=O)NCC(O)c2ccccc2)cc1
InChIInChI=1S/C23H30N2O3/c1-18-7-5-14-25(18)15-6-16-28-21-12-10-20(11-13-21)23(27)24-17-22(26)19-8-3-2-4-9-19/h2-4,8-13,18,22,26H,5-7,14-17H2,1H3,(H,24,27)
InChIKeyRCRCWOPMBVQCOG-UHFFFAOYSA-N
XLogP3.40
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
methane;2-methyl-1-(5-phenoxypentyl)piperidine
CID 158922703
1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazole-4-carboxylic acid;hydrochloride
CID 66933342
N-[(3-methoxyphenyl)methyl]-6-[3-(2-methylpiperidin-1-yl)propoxy]naphthalene-2-carboxamide
CID 69074724
4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
3-(2-methylpiperidin-1-yl)propyl 2-phenoxyacetate;hydrochloride
CID 138401109
ethyl 4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4-oxobutanoate
CID 59651969
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
2-methyl-1-[3-(3-propan-2-ylphenoxy)propyl]pyrrolidine
CID 91223187
4-butoxy-N-[(2S)-2-phenylpropyl]benzamide
CID 2265354
N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide
CID 97092465
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-4-[3-(2-methylpyrrolidin-1-yl)propoxy]benzamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-4-[3-(2-methylpyrrolidin-1-yl)propoxy]benzamide (CID 91007127) is N-(2-hydroxy-2-phenylethyl)-4-[3-(2-methylpyrrolidin-1-yl)propoxy]benzamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-4-[3-(2-methylpyrrolidin-1-yl)propoxy]benzamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-4-[3-(2-methylpyrrolidin-1-yl)propoxy]benzamide is CC1CCCN1CCCOc1ccc(C(=O)NCC(O)c2ccccc2)cc1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-4-[3-(2-methylpyrrolidin-1-yl)propoxy]benzamide?
The InChIKey is RCRCWOPMBVQCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-18-7-5-14-25(18)15-6-16-28-21-12-10-20(11-13-21)23(27)24-17-22(26)19-8-3-2-4-9-19/h2-4,8-13,18,22,26H,5-7,14-17H2,1H3,(H,24,27).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-4-[3-(2-methylpyrrolidin-1-yl)propoxy]benzamide?
N-(2-hydroxy-2-phenylethyl)-4-[3-(2-methylpyrrolidin-1-yl)propoxy]benzamide has a molecular weight of 382.50 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-4-[3-(2-methylpyrrolidin-1-yl)propoxy]benzamide is sourced from PubChem (CID 91007127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).