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

C19H28N2O3 — CID 119749600

IUPACN-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
SMILESCCOc1ccc(C2(CNC(=O)C3CCNC3)CCOCC2)cc1
InChIInChI=1S/C19H28N2O3/c1-2-24-17-5-3-16(4-6-17)19(8-11-23-12-9-19)14-21-18(22)15-7-10-20-13-15/h3-6,15,20H,2,7-14H2,1H3,(H,21,22)
InChIKeyGQKUDWDMLAMRKQ-UHFFFAOYSA-N
MW332.44 g/mol
LogP1.86
Rot. Bonds6

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

N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide (PubChem CID 119749600) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
PubChem CID119749600
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
SMILESCCOc1ccc(C2(CNC(=O)C3CCNC3)CCOCC2)cc1
InChIInChI=1S/C19H28N2O3/c1-2-24-17-5-3-16(4-6-17)19(8-11-23-12-9-19)14-21-18(22)15-7-10-20-13-15/h3-6,15,20H,2,7-14H2,1H3,(H,21,22)
InChIKeyGQKUDWDMLAMRKQ-UHFFFAOYSA-N
XLogP1.86
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119303754
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119303720
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119749930
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119738816
3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119749561
2-(cyclopropylmethylamino)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 119749575
2-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120789798
(2R,6R)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2,6-dimethylpiperidine-1-carboxamide
CID 97333276
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]pyrrolidine-3-carboxamide
CID 119749968
5-[[4-(4-ethoxyphenyl)oxan-4-yl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685263
N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119699128
5-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120625639

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide (CID 119749600) is N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide is CCOc1ccc(C2(CNC(=O)C3CCNC3)CCOCC2)cc1.
What is the InChIKey of N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is GQKUDWDMLAMRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-2-24-17-5-3-16(4-6-17)19(8-11-23-12-9-19)14-21-18(22)15-7-10-20-13-15/h3-6,15,20H,2,7-14H2,1H3,(H,21,22).
What are the key properties of N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide?
N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119749600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).