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

C18H26N2O3 — CID 111443730

IUPAC3-(hydroxymethyl)-N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)N1CCC(CO)C1
InChIInChI=1S/C18H26N2O3/c21-13-15-6-9-20(12-15)17(22)19-14-18(7-10-23-11-8-18)16-4-2-1-3-5-16/h1-5,15,21H,6-14H2,(H,19,22)
InChIKeyOAGMXNQLUAQHBB-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.76
Rot. Bonds4

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

3-(hydroxymethyl)-N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 111443730) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID111443730
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name3-(hydroxymethyl)-N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)N1CCC(CO)C1
InChIInChI=1S/C18H26N2O3/c21-13-15-6-9-20(12-15)17(22)19-14-18(7-10-23-11-8-18)16-4-2-1-3-5-16/h1-5,15,21H,6-14H2,(H,19,22)
InChIKeyOAGMXNQLUAQHBB-UHFFFAOYSA-N
XLogP1.76
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-N-[(1-phenylcyclobutyl)methyl]piperidine-1-carboxamide
CID 110895517
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443732
3-(hydroxymethyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 111443978
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110896530
4-(1-hydroxyethyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-1-carboxamide
CID 111438064
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111444284
(3R)-1-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrrolidine-1,3-dicarboxamide
CID 94656646
2-oxo-N-[(4-phenyloxan-4-yl)methyl]imidazolidine-1-carboxamide
CID 71806728
4-(furan-2-ylmethyl)-N-[(4-phenyloxan-4-yl)methyl]piperazine-1-carboxamide
CID 119070855
1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea
CID 38287346
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
4-benzyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide
CID 113214035

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-1-carboxamide (CID 111443730) is 3-(hydroxymethyl)-N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-1-carboxamide is O=C(NCC1(c2ccccc2)CCOCC1)N1CCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is OAGMXNQLUAQHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-13-15-6-9-20(12-15)17(22)19-14-18(7-10-23-11-8-18)16-4-2-1-3-5-16/h1-5,15,21H,6-14H2,(H,19,22).
What are the key properties of 3-(hydroxymethyl)-N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-1-carboxamide?
3-(hydroxymethyl)-N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111443730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).