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

C23H28N2O3 — CID 119800430

IUPACN-[4-(4-phenylmethoxyphenyl)oxan-4-yl]pyrrolidine-3-carboxamide
SMILESO=C(NC1(c2ccc(OCc3ccccc3)cc2)CCOCC1)C1CCNC1
InChIInChI=1S/C23H28N2O3/c26-22(19-10-13-24-16-19)25-23(11-14-27-15-12-23)20-6-8-21(9-7-20)28-17-18-4-2-1-3-5-18/h1-9,19,24H,10-17H2,(H,25,26)
InChIKeyXKWMMESYWOJUAD-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.00
Rot. Bonds6

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

N-[4-(4-phenylmethoxyphenyl)oxan-4-yl]pyrrolidine-3-carboxamide (PubChem CID 119800430) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[4-(4-phenylmethoxyphenyl)oxan-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-phenylmethoxyphenyl)oxan-4-yl]pyrrolidine-3-carboxamide
PubChem CID119800430
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[4-(4-phenylmethoxyphenyl)oxan-4-yl]pyrrolidine-3-carboxamide
SMILESO=C(NC1(c2ccc(OCc3ccccc3)cc2)CCOCC1)C1CCNC1
InChIInChI=1S/C23H28N2O3/c26-22(19-10-13-24-16-19)25-23(11-14-27-15-12-23)20-6-8-21(9-7-20)28-17-18-4-2-1-3-5-18/h1-9,19,24H,10-17H2,(H,25,26)
InChIKeyXKWMMESYWOJUAD-UHFFFAOYSA-N
XLogP3.00
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(methylamino)-N-[4-(4-phenylmethoxyphenyl)oxan-4-yl]propanamide
CID 119800422
N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119749600
N-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119283165
N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 119286636
1-(1-phenylcyclopropyl)-3-(4-phenylmethoxyphenyl)urea
CID 113215142
N-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119736957
N-[4-[(4-phenylphenyl)methoxy]phenyl]piperidine-3-carboxamide
CID 25222866
N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119773817
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119794538
1-[1-(4-methylphenyl)cyclopropyl]-3-(4-phenylmethoxyphenyl)urea
CID 113215329
N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119303754

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenylmethoxyphenyl)oxan-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(4-phenylmethoxyphenyl)oxan-4-yl]pyrrolidine-3-carboxamide (CID 119800430) is N-[4-(4-phenylmethoxyphenyl)oxan-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(4-phenylmethoxyphenyl)oxan-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(4-phenylmethoxyphenyl)oxan-4-yl]pyrrolidine-3-carboxamide is O=C(NC1(c2ccc(OCc3ccccc3)cc2)CCOCC1)C1CCNC1.
What is the InChIKey of N-[4-(4-phenylmethoxyphenyl)oxan-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is XKWMMESYWOJUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c26-22(19-10-13-24-16-19)25-23(11-14-27-15-12-23)20-6-8-21(9-7-20)28-17-18-4-2-1-3-5-18/h1-9,19,24H,10-17H2,(H,25,26).
What are the key properties of N-[4-(4-phenylmethoxyphenyl)oxan-4-yl]pyrrolidine-3-carboxamide?
N-[4-(4-phenylmethoxyphenyl)oxan-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenylmethoxyphenyl)oxan-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119800430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).