3-[2-(benzylamino)-2-oxoethyl]-N-cyclohexylpyrrolidine-1-carboxamide

C20H29N3O2 — CID 91917752

IUPAC3-[2-(benzylamino)-2-oxoethyl]-N-cyclohexylpyrrolidine-1-carboxamide
SMILESO=C(CC1CCN(C(=O)NC2CCCCC2)C1)NCc1ccccc1
InChIInChI=1S/C20H29N3O2/c24-19(21-14-16-7-3-1-4-8-16)13-17-11-12-23(15-17)20(25)22-18-9-5-2-6-10-18/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,21,24)(H,22,25)
InChIKeyATSHDWDJORINLJ-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.06
Rot. Bonds5

About 3-[2-(benzylamino)-2-oxoethyl]-N-cyclohexylpyrrolidine-1-carboxamide

3-[2-(benzylamino)-2-oxoethyl]-N-cyclohexylpyrrolidine-1-carboxamide (PubChem CID 91917752) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-[2-(benzylamino)-2-oxoethyl]-N-cyclohexylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[2-(benzylamino)-2-oxoethyl]-N-cyclohexylpyrrolidine-1-carboxamide
PubChem CID91917752
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name3-[2-(benzylamino)-2-oxoethyl]-N-cyclohexylpyrrolidine-1-carboxamide
SMILESO=C(CC1CCN(C(=O)NC2CCCCC2)C1)NCc1ccccc1
InChIInChI=1S/C20H29N3O2/c24-19(21-14-16-7-3-1-4-8-16)13-17-11-12-23(15-17)20(25)22-18-9-5-2-6-10-18/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,21,24)(H,22,25)
InChIKeyATSHDWDJORINLJ-UHFFFAOYSA-N
XLogP3.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057684
N-cyclohexyl-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057667
N-cyclohexyl-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057722
3-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide
CID 91917768
N-benzyl-N'-cyclohexylpropanediamide
CID 108942512
N-benzyl-2-[1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]acetamide
CID 91907622
N-benzyl-2-[1-(4-ethylbenzoyl)pyrrolidin-3-yl]acetamide
CID 91917750
N-benzyl-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]acetamide
CID 91917759
benzyl 4-[[(3R)-3-[[2-[(3S)-1-methylpyrrolidin-3-yl]acetyl]amino]pyrrolidine-1-carbonyl]amino]piperidine-1-carboxylate
CID 58032859
2-(benzylamino)-N-cyclohexylacetamide
CID 19163991
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-N-benzylacetamide
CID 91907615
N-benzyl-2-(1-cyclopropylpiperidin-4-yl)acetamide
CID 110754741

Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzylamino)-2-oxoethyl]-N-cyclohexylpyrrolidine-1-carboxamide?
The IUPAC name of 3-[2-(benzylamino)-2-oxoethyl]-N-cyclohexylpyrrolidine-1-carboxamide (CID 91917752) is 3-[2-(benzylamino)-2-oxoethyl]-N-cyclohexylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[2-(benzylamino)-2-oxoethyl]-N-cyclohexylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-[2-(benzylamino)-2-oxoethyl]-N-cyclohexylpyrrolidine-1-carboxamide is O=C(CC1CCN(C(=O)NC2CCCCC2)C1)NCc1ccccc1.
What is the InChIKey of 3-[2-(benzylamino)-2-oxoethyl]-N-cyclohexylpyrrolidine-1-carboxamide?
The InChIKey is ATSHDWDJORINLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-19(21-14-16-7-3-1-4-8-16)13-17-11-12-23(15-17)20(25)22-18-9-5-2-6-10-18/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,21,24)(H,22,25).
What are the key properties of 3-[2-(benzylamino)-2-oxoethyl]-N-cyclohexylpyrrolidine-1-carboxamide?
3-[2-(benzylamino)-2-oxoethyl]-N-cyclohexylpyrrolidine-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzylamino)-2-oxoethyl]-N-cyclohexylpyrrolidine-1-carboxamide is sourced from PubChem (CID 91917752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).