ethyl 2-[(4-carbamoylbenzoyl)-cyclopropylamino]acetate

C15H18N2O4 — CID 47981242

IUPACethyl 2-[(4-carbamoylbenzoyl)-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccc(C(N)=O)cc1)C1CC1
InChIInChI=1S/C15H18N2O4/c1-2-21-13(18)9-17(12-7-8-12)15(20)11-5-3-10(4-6-11)14(16)19/h3-6,12H,2,7-9H2,1H3,(H2,16,19)
InChIKeyQGKAHCIPUIGSOL-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.95
Rot. Bonds6

About ethyl 2-[(4-carbamoylbenzoyl)-cyclopropylamino]acetate

ethyl 2-[(4-carbamoylbenzoyl)-cyclopropylamino]acetate (PubChem CID 47981242) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 2-[(4-carbamoylbenzoyl)-cyclopropylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-carbamoylbenzoyl)-cyclopropylamino]acetate
PubChem CID47981242
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Nameethyl 2-[(4-carbamoylbenzoyl)-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccc(C(N)=O)cc1)C1CC1
InChIInChI=1S/C15H18N2O4/c1-2-21-13(18)9-17(12-7-8-12)15(20)11-5-3-10(4-6-11)14(16)19/h3-6,12H,2,7-9H2,1H3,(H2,16,19)
InChIKeyQGKAHCIPUIGSOL-UHFFFAOYSA-N
XLogP0.95
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[cyclopropyl-(4-iodobenzoyl)amino]acetate
CID 61400648
4-N-cyclopropyl-4-N-ethylbenzene-1,4-dicarboxamide
CID 47155368
ethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate
CID 61410094
ethyl 2-[(4-amino-3-methylbenzoyl)-cyclopropylamino]acetate
CID 60953815
ethyl 2-[cyclopropyl-(3-iodobenzoyl)amino]acetate
CID 61400649
ethyl 2-[cyclopropyl-(2-methylfuran-3-carbonyl)amino]acetate
CID 54983961
ethyl 2-[(3-bromo-5-chlorobenzoyl)-cyclopropylamino]acetate
CID 103826852
ethyl 2-[(4-bromo-3-nitrobenzoyl)-cyclopropylamino]acetate
CID 78904452
ethyl 2-[cyclopropyl(furan-2-carbonyl)amino]acetate
CID 54983870
ethyl 2-[cyclopropyl-(5-fluoropyridine-3-carbonyl)amino]acetate
CID 115694608
ethyl 2-[cyclopropyl-(2-hydroxy-4-methylbenzoyl)amino]acetate
CID 61410130
ethyl 2-[cyclopropyl(1,2-oxazole-5-carbonyl)amino]acetate
CID 55005865

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-carbamoylbenzoyl)-cyclopropylamino]acetate?
The IUPAC name of ethyl 2-[(4-carbamoylbenzoyl)-cyclopropylamino]acetate (CID 47981242) is ethyl 2-[(4-carbamoylbenzoyl)-cyclopropylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-carbamoylbenzoyl)-cyclopropylamino]acetate?
The canonical SMILES for ethyl 2-[(4-carbamoylbenzoyl)-cyclopropylamino]acetate is CCOC(=O)CN(C(=O)c1ccc(C(N)=O)cc1)C1CC1.
What is the InChIKey of ethyl 2-[(4-carbamoylbenzoyl)-cyclopropylamino]acetate?
The InChIKey is QGKAHCIPUIGSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-2-21-13(18)9-17(12-7-8-12)15(20)11-5-3-10(4-6-11)14(16)19/h3-6,12H,2,7-9H2,1H3,(H2,16,19).
What are the key properties of ethyl 2-[(4-carbamoylbenzoyl)-cyclopropylamino]acetate?
ethyl 2-[(4-carbamoylbenzoyl)-cyclopropylamino]acetate has a molecular weight of 290.32 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-carbamoylbenzoyl)-cyclopropylamino]acetate is sourced from PubChem (CID 47981242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).