1-(cyclopropanecarbonyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-2-carboxamide

C22H31N3O3 — CID 55900196

IUPAC1-(cyclopropanecarbonyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(C(CNC(=O)C2CCCN2C(=O)C2CC2)N2CCOCC2)cc1
InChIInChI=1S/C22H31N3O3/c1-16-4-6-17(7-5-16)20(24-11-13-28-14-12-24)15-23-21(26)19-3-2-10-25(19)22(27)18-8-9-18/h4-7,18-20H,2-3,8-15H2,1H3,(H,23,26)
InChIKeyKVKLAAKMUWKRDA-UHFFFAOYSA-N
MW385.51 g/mol
LogP1.89
Rot. Bonds6

About 1-(cyclopropanecarbonyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-2-carboxamide

1-(cyclopropanecarbonyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-2-carboxamide (PubChem CID 55900196) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-2-carboxamide
PubChem CID55900196
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name1-(cyclopropanecarbonyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(C(CNC(=O)C2CCCN2C(=O)C2CC2)N2CCOCC2)cc1
InChIInChI=1S/C22H31N3O3/c1-16-4-6-17(7-5-16)20(24-11-13-28-14-12-24)15-23-21(26)19-3-2-10-25(19)22(27)18-8-9-18/h4-7,18-20H,2-3,8-15H2,1H3,(H,23,26)
InChIKeyKVKLAAKMUWKRDA-UHFFFAOYSA-N
XLogP1.89
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 51630213
1-cyclopropyl-3-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 51710229
(2S,5R)-5-(aminomethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide;dihydrochloride
CID 120798775
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 119859927
N-(2-morpholin-4-yl-2-phenylethyl)cyclobutanecarboxamide
CID 42948395
N-(2-morpholin-4-yl-2-phenylethyl)cyclopentanecarboxamide
CID 42948396
3-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119859900
N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide
CID 94799529
1-butylsulfonyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide
CID 55899817
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 16811484
N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide
CID 7384699

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-2-carboxamide (CID 55900196) is 1-(cyclopropanecarbonyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-2-carboxamide is Cc1ccc(C(CNC(=O)C2CCCN2C(=O)C2CC2)N2CCOCC2)cc1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-2-carboxamide?
The InChIKey is KVKLAAKMUWKRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-16-4-6-17(7-5-16)20(24-11-13-28-14-12-24)15-23-21(26)19-3-2-10-25(19)22(27)18-8-9-18/h4-7,18-20H,2-3,8-15H2,1H3,(H,23,26).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-2-carboxamide?
1-(cyclopropanecarbonyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-2-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55900196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).