N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrrolidine-3-carboxamide

C18H26N2O2 — CID 119794651

IUPACN-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(C2OCCCC2CNC(=O)C2CCNC2)cc1
InChIInChI=1S/C18H26N2O2/c1-13-4-6-14(7-5-13)17-15(3-2-10-22-17)12-20-18(21)16-8-9-19-11-16/h4-7,15-17,19H,2-3,8-12H2,1H3,(H,20,21)
InChIKeyWHAPQMRHUFQZLC-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.19
Rot. Bonds4

About N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrrolidine-3-carboxamide

N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrrolidine-3-carboxamide (PubChem CID 119794651) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrrolidine-3-carboxamide
PubChem CID119794651
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(C2OCCCC2CNC(=O)C2CCNC2)cc1
InChIInChI=1S/C18H26N2O2/c1-13-4-6-14(7-5-13)17-15(3-2-10-22-17)12-20-18(21)16-8-9-19-11-16/h4-7,15-17,19H,2-3,8-12H2,1H3,(H,20,21)
InChIKeyWHAPQMRHUFQZLC-UHFFFAOYSA-N
XLogP2.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119329797
N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119794620
2-methyl-1-[[2-(4-methylphenyl)oxan-3-yl]methyl]guanidine
CID 111478573
(3R,4S)-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120933997
(2S,4S)-2-methyl-N-[(2-phenyloxan-3-yl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120624612
N-[2-(4-methylphenyl)oxan-3-yl]piperidine-3-carboxamide;hydrochloride
CID 119343321
2-methyl-3-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-oxopropanoic acid
CID 122065691
N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 136528888
5-iodo-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]thiophene-3-carboxamide
CID 146089586
N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119794606
1-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxopyridine-4-carboxamide
CID 71993216
1,2-dimethyl-3-[[2-(4-methylphenyl)oxan-3-yl]methyl]guanidine
CID 111478585

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrrolidine-3-carboxamide (CID 119794651) is N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrrolidine-3-carboxamide is Cc1ccc(C2OCCCC2CNC(=O)C2CCNC2)cc1.
What is the InChIKey of N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is WHAPQMRHUFQZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-4-6-14(7-5-13)17-15(3-2-10-22-17)12-20-18(21)16-8-9-19-11-16/h4-7,15-17,19H,2-3,8-12H2,1H3,(H,20,21).
What are the key properties of N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrrolidine-3-carboxamide?
N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119794651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).