1-benzyl-2-oxo-N-prop-2-ynylimidazolidine-4-carboxamide

C14H15N3O2 — CID 134796340

IUPAC1-benzyl-2-oxo-N-prop-2-ynylimidazolidine-4-carboxamide
SMILESC#CCNC(=O)C1CN(Cc2ccccc2)C(=O)N1
InChIInChI=1S/C14H15N3O2/c1-2-8-15-13(18)12-10-17(14(19)16-12)9-11-6-4-3-5-7-11/h1,3-7,12H,8-10H2,(H,15,18)(H,16,19)
InChIKeyGVCGNDVDLWYARH-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.33
Rot. Bonds4

About 1-benzyl-2-oxo-N-prop-2-ynylimidazolidine-4-carboxamide

1-benzyl-2-oxo-N-prop-2-ynylimidazolidine-4-carboxamide (PubChem CID 134796340) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-benzyl-2-oxo-N-prop-2-ynylimidazolidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-2-oxo-N-prop-2-ynylimidazolidine-4-carboxamide
PubChem CID134796340
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-benzyl-2-oxo-N-prop-2-ynylimidazolidine-4-carboxamide
SMILESC#CCNC(=O)C1CN(Cc2ccccc2)C(=O)N1
InChIInChI=1S/C14H15N3O2/c1-2-8-15-13(18)12-10-17(14(19)16-12)9-11-6-4-3-5-7-11/h1,3-7,12H,8-10H2,(H,15,18)(H,16,19)
InChIKeyGVCGNDVDLWYARH-UHFFFAOYSA-N
XLogP0.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N-(cyclopropylmethyl)-2-oxoimidazolidine-4-carboxamide
CID 134795001
(4S)-1-benzyl-4-phenylimidazolidin-2-one
CID 142669129
1-benzyl-N-(2-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17396518
1-(1-benzyl-3-methylpiperidin-4-yl)-1-methyl-3-prop-2-ynylurea
CID 71848262
1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-prop-2-ynylurea
CID 96542989
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide
CID 16919256
(1R,4S,5R,7R)-3,4-dibenzyl-2-oxo-N-prop-2-ynyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide
CID 46229122
2-amino-4-phenyl-N-prop-2-ynylbutanamide
CID 114925050
1-(4-chlorophenyl)-2-oxo-N-(3-phenylpropyl)imidazolidine-4-carboxamide
CID 134795214
1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)piperidine-3-carboxamide
CID 24793091
1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 119431391
N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 40898464

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-oxo-N-prop-2-ynylimidazolidine-4-carboxamide?
The IUPAC name of 1-benzyl-2-oxo-N-prop-2-ynylimidazolidine-4-carboxamide (CID 134796340) is 1-benzyl-2-oxo-N-prop-2-ynylimidazolidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-2-oxo-N-prop-2-ynylimidazolidine-4-carboxamide?
The canonical SMILES for 1-benzyl-2-oxo-N-prop-2-ynylimidazolidine-4-carboxamide is C#CCNC(=O)C1CN(Cc2ccccc2)C(=O)N1.
What is the InChIKey of 1-benzyl-2-oxo-N-prop-2-ynylimidazolidine-4-carboxamide?
The InChIKey is GVCGNDVDLWYARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-8-15-13(18)12-10-17(14(19)16-12)9-11-6-4-3-5-7-11/h1,3-7,12H,8-10H2,(H,15,18)(H,16,19).
What are the key properties of 1-benzyl-2-oxo-N-prop-2-ynylimidazolidine-4-carboxamide?
1-benzyl-2-oxo-N-prop-2-ynylimidazolidine-4-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-oxo-N-prop-2-ynylimidazolidine-4-carboxamide is sourced from PubChem (CID 134796340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).