N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]morpholine-2-carboxamide

C18H27N3O3 — CID 119832218

IUPACN-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]morpholine-2-carboxamide
SMILESCOc1cccc(C(CNC(=O)C2CNCCO2)N2CCCC2)c1
InChIInChI=1S/C18H27N3O3/c1-23-15-6-4-5-14(11-15)16(21-8-2-3-9-21)12-20-18(22)17-13-19-7-10-24-17/h4-6,11,16-17,19H,2-3,7-10,12-13H2,1H3,(H,20,22)
InChIKeyXKPXNKYHCCWNMJ-UHFFFAOYSA-N
MW333.43 g/mol
LogP0.94
Rot. Bonds6

About N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]morpholine-2-carboxamide

N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]morpholine-2-carboxamide (PubChem CID 119832218) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]morpholine-2-carboxamide
PubChem CID119832218
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]morpholine-2-carboxamide
SMILESCOc1cccc(C(CNC(=O)C2CNCCO2)N2CCCC2)c1
InChIInChI=1S/C18H27N3O3/c1-23-15-6-4-5-14(11-15)16(21-8-2-3-9-21)12-20-18(22)17-13-19-7-10-24-17/h4-6,11,16-17,19H,2-3,7-10,12-13H2,1H3,(H,20,22)
InChIKeyXKPXNKYHCCWNMJ-UHFFFAOYSA-N
XLogP0.94
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119831068
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]morpholine-2-carboxamide;dihydrochloride
CID 119866007
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
(2S,4S)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylpiperidine-4-carboxamide
CID 120631213
(2S,4R)-4-hydroxy-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide
CID 124688095
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]azocane-1-carboxamide
CID 112806953
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,2-dimethylpropanamide
CID 134026624
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyrrolidine-3-carboxamide
CID 119829732
2,6-dimethoxy-N-[2-(3-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 112506691
2-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
CID 55522276
N-[2-(3-methylphenoxy)butyl]morpholine-2-carboxamide
CID 119819907
3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005771

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]morpholine-2-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]morpholine-2-carboxamide (CID 119832218) is N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]morpholine-2-carboxamide is COc1cccc(C(CNC(=O)C2CNCCO2)N2CCCC2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]morpholine-2-carboxamide?
The InChIKey is XKPXNKYHCCWNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-23-15-6-4-5-14(11-15)16(21-8-2-3-9-21)12-20-18(22)17-13-19-7-10-24-17/h4-6,11,16-17,19H,2-3,7-10,12-13H2,1H3,(H,20,22).
What are the key properties of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]morpholine-2-carboxamide?
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]morpholine-2-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]morpholine-2-carboxamide is sourced from PubChem (CID 119832218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).