N-[2-oxo-2-[propan-2-yl(pyrrolidin-3-yl)amino]ethyl]benzamide

C16H23N3O2 — CID 82177176

IUPACN-[2-oxo-2-[propan-2-yl(pyrrolidin-3-yl)amino]ethyl]benzamide
SMILESCC(C)N(C(=O)CNC(=O)c1ccccc1)C1CCNC1
InChIInChI=1S/C16H23N3O2/c1-12(2)19(14-8-9-17-10-14)15(20)11-18-16(21)13-6-4-3-5-7-13/h3-7,12,14,17H,8-11H2,1-2H3,(H,18,21)
InChIKeyPKEXFWOWUMMVCD-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.02
Rot. Bonds5

About N-[2-oxo-2-[propan-2-yl(pyrrolidin-3-yl)amino]ethyl]benzamide

N-[2-oxo-2-[propan-2-yl(pyrrolidin-3-yl)amino]ethyl]benzamide (PubChem CID 82177176) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-oxo-2-[propan-2-yl(pyrrolidin-3-yl)amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[propan-2-yl(pyrrolidin-3-yl)amino]ethyl]benzamide
PubChem CID82177176
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[2-oxo-2-[propan-2-yl(pyrrolidin-3-yl)amino]ethyl]benzamide
SMILESCC(C)N(C(=O)CNC(=O)c1ccccc1)C1CCNC1
InChIInChI=1S/C16H23N3O2/c1-12(2)19(14-8-9-17-10-14)15(20)11-18-16(21)13-6-4-3-5-7-13/h3-7,12,14,17H,8-11H2,1-2H3,(H,18,21)
InChIKeyPKEXFWOWUMMVCD-UHFFFAOYSA-N
XLogP1.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[methyl(piperidin-3-yl)amino]-2-oxoethyl]benzamide
CID 60807055
N-[2-[azetidin-3-yl(methyl)amino]-2-oxoethyl]benzamide
CID 66185921
3-(dimethylamino)-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide
CID 82177202
4-ethoxy-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide
CID 82177255
N-[2-oxo-2-(1-piperidin-3-ylethylamino)ethyl]benzamide;hydrochloride
CID 119474128
2-[methyl(pyrrolidin-3-yl)amino]-N-phenyl-N-propan-2-ylacetamide
CID 63298363
3-nitro-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide
CID 82177207
2-benzamido-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552674
N-(1-pyrrolidin-3-ylethyl)benzamide
CID 103977078
2-[cyclopropyl-[2-[(3-fluorobenzoyl)amino]acetyl]amino]propanoic acid
CID 120519342
N-methyl-2-[(2-phenoxyacetyl)amino]-N-pyrrolidin-3-ylacetamide
CID 119553064
N-[2-[cyclobutyl(2-hydroxyethyl)amino]-2-oxoethyl]benzamide
CID 102684785

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[propan-2-yl(pyrrolidin-3-yl)amino]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[propan-2-yl(pyrrolidin-3-yl)amino]ethyl]benzamide (CID 82177176) is N-[2-oxo-2-[propan-2-yl(pyrrolidin-3-yl)amino]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[propan-2-yl(pyrrolidin-3-yl)amino]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[propan-2-yl(pyrrolidin-3-yl)amino]ethyl]benzamide is CC(C)N(C(=O)CNC(=O)c1ccccc1)C1CCNC1.
What is the InChIKey of N-[2-oxo-2-[propan-2-yl(pyrrolidin-3-yl)amino]ethyl]benzamide?
The InChIKey is PKEXFWOWUMMVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(2)19(14-8-9-17-10-14)15(20)11-18-16(21)13-6-4-3-5-7-13/h3-7,12,14,17H,8-11H2,1-2H3,(H,18,21).
What are the key properties of N-[2-oxo-2-[propan-2-yl(pyrrolidin-3-yl)amino]ethyl]benzamide?
N-[2-oxo-2-[propan-2-yl(pyrrolidin-3-yl)amino]ethyl]benzamide has a molecular weight of 289.38 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[propan-2-yl(pyrrolidin-3-yl)amino]ethyl]benzamide is sourced from PubChem (CID 82177176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).