ethyl 2-[(N-acetylanilino)methyl]cyclopropane-1-carboxylate

C15H19NO3 — CID 42796797

IUPACethyl 2-[(N-acetylanilino)methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1CN(C(C)=O)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-3-19-15(18)14-9-12(14)10-16(11(2)17)13-7-5-4-6-8-13/h4-8,12,14H,3,9-10H2,1-2H3
InChIKeyPLGGGMQQBOORFI-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.24
Rot. Bonds5

About ethyl 2-[(N-acetylanilino)methyl]cyclopropane-1-carboxylate

ethyl 2-[(N-acetylanilino)methyl]cyclopropane-1-carboxylate (PubChem CID 42796797) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 2-[(N-acetylanilino)methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(N-acetylanilino)methyl]cyclopropane-1-carboxylate
PubChem CID42796797
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nameethyl 2-[(N-acetylanilino)methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1CN(C(C)=O)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-3-19-15(18)14-9-12(14)10-16(11(2)17)13-7-5-4-6-8-13/h4-8,12,14H,3,9-10H2,1-2H3
InChIKeyPLGGGMQQBOORFI-UHFFFAOYSA-N
XLogP2.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[4-phenyl-N-(pyridine-4-carbonyl)anilino]methyl]cyclopropane-1-carboxylate
CID 42796826
ethyl 2-[[4-phenyl-N-(quinoline-4-carbonyl)anilino]methyl]cyclopropane-1-carboxylate
CID 42796828
ethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 166815122
cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 11470338
cis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate
CID 45090224
trans-2-O-ethyl 1-O-phenyl (1R,2R)-cyclopropane-1,2-dicarboxylate
CID 101070997
ethyl 2-benzoylcyclopropane-1-carboxylate
CID 15568394
ethyl 2-(benzylsulfonyloxymethyl)cyclopropane-1-carboxylate
CID 156778715
cis-ethyl (1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carboxylate
CID 131735737
ethyl 2-[[1-phenylethyl(pyridine-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate
CID 42796798
cis-ethyl (1S,2S)-2-[(4-methylphenoxy)methyl]cyclopropane-1-carboxylate
CID 142479617
trans-ethyl (2S,4R)-4-(dibenzylamino)-2-ethylcyclopentane-1-carboxylate
CID 58010141

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(N-acetylanilino)methyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[(N-acetylanilino)methyl]cyclopropane-1-carboxylate (CID 42796797) is ethyl 2-[(N-acetylanilino)methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[(N-acetylanilino)methyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[(N-acetylanilino)methyl]cyclopropane-1-carboxylate is CCOC(=O)C1CC1CN(C(C)=O)c1ccccc1.
What is the InChIKey of ethyl 2-[(N-acetylanilino)methyl]cyclopropane-1-carboxylate?
The InChIKey is PLGGGMQQBOORFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-19-15(18)14-9-12(14)10-16(11(2)17)13-7-5-4-6-8-13/h4-8,12,14H,3,9-10H2,1-2H3.
What are the key properties of ethyl 2-[(N-acetylanilino)methyl]cyclopropane-1-carboxylate?
ethyl 2-[(N-acetylanilino)methyl]cyclopropane-1-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(N-acetylanilino)methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 42796797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).