1-cyclohexyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide

C20H30N2O3 — CID 111750687

IUPAC1-cyclohexyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCOc1cccc(C(O)CNC(=O)C2CCN(C3CCCCC3)C2)c1
InChIInChI=1S/C20H30N2O3/c1-25-18-9-5-6-15(12-18)19(23)13-21-20(24)16-10-11-22(14-16)17-7-3-2-4-8-17/h5-6,9,12,16-17,19,23H,2-4,7-8,10-11,13-14H2,1H3,(H,21,24)
InChIKeyAHZCXJRSUXSWOP-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.50
Rot. Bonds6

About 1-cyclohexyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide

1-cyclohexyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 111750687) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-cyclohexyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
PubChem CID111750687
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-cyclohexyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCOc1cccc(C(O)CNC(=O)C2CCN(C3CCCCC3)C2)c1
InChIInChI=1S/C20H30N2O3/c1-25-18-9-5-6-15(12-18)19(23)13-21-20(24)16-10-11-22(14-16)17-7-3-2-4-8-17/h5-6,9,12,16-17,19,23H,2-4,7-8,10-11,13-14H2,1H3,(H,21,24)
InChIKeyAHZCXJRSUXSWOP-UHFFFAOYSA-N
XLogP2.50
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3,5-dimethylcyclohexane-1-carboxamide
CID 110020967
3-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119765481
N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-methylpiperidine-4-carboxamide
CID 74241723
2-(azepan-1-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide
CID 111477458
methyl 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylate
CID 78966764
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103670655
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
1-cyclohexyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide
CID 97195508
1-(cyclopropylmethyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111115133
2-(1-ethylpiperidin-4-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]acetamide
CID 72893155
1-(3-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63165585
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 73168488

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide (CID 111750687) is 1-cyclohexyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide is COc1cccc(C(O)CNC(=O)C2CCN(C3CCCCC3)C2)c1.
What is the InChIKey of 1-cyclohexyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is AHZCXJRSUXSWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-25-18-9-5-6-15(12-18)19(23)13-21-20(24)16-10-11-22(14-16)17-7-3-2-4-8-17/h5-6,9,12,16-17,19,23H,2-4,7-8,10-11,13-14H2,1H3,(H,21,24).
What are the key properties of 1-cyclohexyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide?
1-cyclohexyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 111750687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).