N-[2-(methylamino)-2-oxo-1-phenylethyl]-4-pyrrolidin-1-ylbenzamide

C20H23N3O2 — CID 91782479

IUPACN-[2-(methylamino)-2-oxo-1-phenylethyl]-4-pyrrolidin-1-ylbenzamide
SMILESCNC(=O)C(NC(=O)c1ccc(N2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-21-20(25)18(15-7-3-2-4-8-15)22-19(24)16-9-11-17(12-10-16)23-13-5-6-14-23/h2-4,7-12,18H,5-6,13-14H2,1H3,(H,21,25)(H,22,24)
InChIKeyKTEZZPNGKOGFMK-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.50
Rot. Bonds5

About N-[2-(methylamino)-2-oxo-1-phenylethyl]-4-pyrrolidin-1-ylbenzamide

N-[2-(methylamino)-2-oxo-1-phenylethyl]-4-pyrrolidin-1-ylbenzamide (PubChem CID 91782479) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[2-(methylamino)-2-oxo-1-phenylethyl]-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(methylamino)-2-oxo-1-phenylethyl]-4-pyrrolidin-1-ylbenzamide
PubChem CID91782479
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[2-(methylamino)-2-oxo-1-phenylethyl]-4-pyrrolidin-1-ylbenzamide
SMILESCNC(=O)C(NC(=O)c1ccc(N2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-21-20(25)18(15-7-3-2-4-8-15)22-19(24)16-9-11-17(12-10-16)23-13-5-6-14-23/h2-4,7-12,18H,5-6,13-14H2,1H3,(H,21,25)(H,22,24)
InChIKeyKTEZZPNGKOGFMK-UHFFFAOYSA-N
XLogP2.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-(4-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide
CID 28635742
(2R)-2-phenyl-2-[[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]acetic acid
CID 119367760
N-[(R)-(2-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide
CID 93487464
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732576
4-methoxy-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]benzamide
CID 110286844
4-chloro-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 110286769
3-bromo-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide
CID 94157840
N-(1-phenylethyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109156245
4-fluoro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110286605
4-bromo-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110286608
N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 125172950

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)-2-oxo-1-phenylethyl]-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[2-(methylamino)-2-oxo-1-phenylethyl]-4-pyrrolidin-1-ylbenzamide (CID 91782479) is N-[2-(methylamino)-2-oxo-1-phenylethyl]-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[2-(methylamino)-2-oxo-1-phenylethyl]-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[2-(methylamino)-2-oxo-1-phenylethyl]-4-pyrrolidin-1-ylbenzamide is CNC(=O)C(NC(=O)c1ccc(N2CCCC2)cc1)c1ccccc1.
What is the InChIKey of N-[2-(methylamino)-2-oxo-1-phenylethyl]-4-pyrrolidin-1-ylbenzamide?
The InChIKey is KTEZZPNGKOGFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-21-20(25)18(15-7-3-2-4-8-15)22-19(24)16-9-11-17(12-10-16)23-13-5-6-14-23/h2-4,7-12,18H,5-6,13-14H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[2-(methylamino)-2-oxo-1-phenylethyl]-4-pyrrolidin-1-ylbenzamide?
N-[2-(methylamino)-2-oxo-1-phenylethyl]-4-pyrrolidin-1-ylbenzamide has a molecular weight of 337.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)-2-oxo-1-phenylethyl]-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 91782479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).