formic acid;N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-phenylbutanamide

C23H35N3O5 — CID 171712151

IUPACformic acid;N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-phenylbutanamide
SMILESCN1[C@@H](CC(=O)N2CCOCC2)CC[C@H]1CNC(=O)CCCc1ccccc1.O=CO
InChIInChI=1S/C22H33N3O3.CH2O2/c1-24-19(16-22(27)25-12-14-28-15-13-25)10-11-20(24)17-23-21(26)9-5-8-18-6-3-2-4-7-18;2-1-3/h2-4,6-7,19-20H,5,8-17H2,1H3,(H,23,26);1H,(H,2,3)/t19-,20+;/m1./s1
InChIKeyQOCSKXDNKKMWOI-FDOHDBATSA-N
MW433.55 g/mol
LogP1.54
Rot. Bonds8

About formic acid;N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-phenylbutanamide

formic acid;N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-phenylbutanamide (PubChem CID 171712151) has the molecular formula C23H35N3O5 and a molecular weight of 433.55 g/mol. Its IUPAC name is formic acid;N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-phenylbutanamide.

Molecular Properties

Compound Nameformic acid;N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-phenylbutanamide
PubChem CID171712151
Molecular FormulaC23H35N3O5
Molecular Weight433.55 g/mol
Exact Mass433.26
IUPAC Nameformic acid;N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-phenylbutanamide
SMILESCN1[C@@H](CC(=O)N2CCOCC2)CC[C@H]1CNC(=O)CCCc1ccccc1.O=CO
InChIInChI=1S/C22H33N3O3.CH2O2/c1-24-19(16-22(27)25-12-14-28-15-13-25)10-11-20(24)17-23-21(26)9-5-8-18-6-3-2-4-7-18;2-1-3/h2-4,6-7,19-20H,5,8-17H2,1H3,(H,23,26);1H,(H,2,3)/t19-,20+;/m1./s1
InChIKeyQOCSKXDNKKMWOI-FDOHDBATSA-N
XLogP1.54
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenyl)-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]acetamide;formic acid
CID 171709665
(E)-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-3-phenylprop-2-enamide
CID 165426080
2-ethoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide
CID 166620853
2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-(3-phenylpropyl)acetamide
CID 166615612
2-fluoro-3-methoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide
CID 165427835
4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide
CID 11385742
3-morpholin-4-yl-3-oxo-N-(3-phenylpropyl)propanamide
CID 108943481
4-chloro-2-hydroxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide
CID 171386005
1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-4-phenylbutan-1-one
CID 119764304
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
1-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-4-phenylbutan-1-one
CID 95874166
1-ethyl-3,5-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]pyrazole-4-carboxamide
CID 166616191

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-phenylbutanamide?
The IUPAC name of formic acid;N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-phenylbutanamide (CID 171712151) is formic acid;N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-phenylbutanamide.
What is the SMILES notation for formic acid;N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-phenylbutanamide?
The canonical SMILES for formic acid;N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-phenylbutanamide is CN1[C@@H](CC(=O)N2CCOCC2)CC[C@H]1CNC(=O)CCCc1ccccc1.O=CO.
What is the InChIKey of formic acid;N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-phenylbutanamide?
The InChIKey is QOCSKXDNKKMWOI-FDOHDBATSA-N. The full InChI is InChI=1S/C22H33N3O3.CH2O2/c1-24-19(16-22(27)25-12-14-28-15-13-25)10-11-20(24)17-23-21(26)9-5-8-18-6-3-2-4-7-18;2-1-3/h2-4,6-7,19-20H,5,8-17H2,1H3,(H,23,26);1H,(H,2,3)/t19-,20+;/m1./s1.
What are the key properties of formic acid;N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-phenylbutanamide?
formic acid;N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-phenylbutanamide has a molecular weight of 433.55 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-phenylbutanamide is sourced from PubChem (CID 171712151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).