N-[(4-cyclohexyloxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide

C19H28N2O3 — CID 111443943

IUPACN-[(4-cyclohexyloxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(OC2CCCCC2)cc1)N1CCC(CO)C1
InChIInChI=1S/C19H28N2O3/c22-14-16-10-11-21(13-16)19(23)20-12-15-6-8-18(9-7-15)24-17-4-2-1-3-5-17/h6-9,16-17,22H,1-5,10-14H2,(H,20,23)
InChIKeyQWLPSQGPEJFOOH-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.92
Rot. Bonds5

About N-[(4-cyclohexyloxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide

N-[(4-cyclohexyloxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 111443943) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[(4-cyclohexyloxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-cyclohexyloxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID111443943
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[(4-cyclohexyloxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(OC2CCCCC2)cc1)N1CCC(CO)C1
InChIInChI=1S/C19H28N2O3/c22-14-16-10-11-21(13-16)19(23)20-12-15-6-8-18(9-7-15)24-17-4-2-1-3-5-17/h6-9,16-17,22H,1-5,10-14H2,(H,20,23)
InChIKeyQWLPSQGPEJFOOH-UHFFFAOYSA-N
XLogP2.92
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111440705
3-(hydroxymethyl)-N-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide
CID 110922235
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443750
1-acetyl-N-[(4-cyclopentyloxyphenyl)methyl]piperidine-4-carboxamide
CID 110793800
N-[(4-tert-butylphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110910288
4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122021103
3-(hydroxymethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 111443773
N-[(4-cyclohexyloxyphenyl)methyl]piperidine-4-carboxamide
CID 119312792
2-amino-N-[(4-cyclopentyloxyphenyl)methyl]acetamide
CID 96676286
3-amino-N-[(4-cyclohexyloxyphenyl)methyl]propanamide
CID 119312788
N-[(4-cyclopentyloxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 51104170
N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443905

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyloxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[(4-cyclohexyloxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 111443943) is N-[(4-cyclohexyloxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(4-cyclohexyloxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(4-cyclohexyloxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide is O=C(NCc1ccc(OC2CCCCC2)cc1)N1CCC(CO)C1.
What is the InChIKey of N-[(4-cyclohexyloxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is QWLPSQGPEJFOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c22-14-16-10-11-21(13-16)19(23)20-12-15-6-8-18(9-7-15)24-17-4-2-1-3-5-17/h6-9,16-17,22H,1-5,10-14H2,(H,20,23).
What are the key properties of N-[(4-cyclohexyloxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
N-[(4-cyclohexyloxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyloxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111443943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).