ethyl 2,2-dimethyl-1-(phenylcarbamoyl)cyclopropane-1-carboxylate

C15H19NO3 — CID 11529043

IUPACethyl 2,2-dimethyl-1-(phenylcarbamoyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C(=O)Nc2ccccc2)CC1(C)C
InChIInChI=1S/C15H19NO3/c1-4-19-13(18)15(10-14(15,2)3)12(17)16-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,16,17)
InChIKeyVKJHKJDDQVYORH-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.60
Rot. Bonds4

About ethyl 2,2-dimethyl-1-(phenylcarbamoyl)cyclopropane-1-carboxylate

ethyl 2,2-dimethyl-1-(phenylcarbamoyl)cyclopropane-1-carboxylate (PubChem CID 11529043) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 2,2-dimethyl-1-(phenylcarbamoyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,2-dimethyl-1-(phenylcarbamoyl)cyclopropane-1-carboxylate
PubChem CID11529043
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nameethyl 2,2-dimethyl-1-(phenylcarbamoyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C(=O)Nc2ccccc2)CC1(C)C
InChIInChI=1S/C15H19NO3/c1-4-19-13(18)15(10-14(15,2)3)12(17)16-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,16,17)
InChIKeyVKJHKJDDQVYORH-UHFFFAOYSA-N
XLogP2.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2-dichloro-1-methyl-N-phenylcyclopropane-1-carboxamide
CID 16624359
trans-(3S,5S)-1,3,5-trimethyl-3,5-bis(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 101246835
ethyl 3-anilino-3-oxopropanoate
CID 3016808
1-amino-N-phenylcyclopropane-1-carboxamide;hydrochloride
CID 75467843
diethyl oxalate;N-phenylaniline
CID 174415380
ethyl 4-anilino-1-ethylpiperidine-4-carboxylate
CID 60992582
4-methyl-N-phenyldithiolane-4-carboxamide
CID 45111447
ethyl (2S)-3-amino-2-(phenylcarbamoylamino)propanoate
CID 59103872
ethyl (E)-3-anilino-3-ethoxyprop-2-enoate
CID 134965234
diethyl 8-bromo-4-(phenylcarbamoyl)-3,4-dihydro-1H-naphthalene-2,2-dicarboxylate
CID 175969634
diethyl (2S,3R,4S)-4-benzoyl-3-phenyl-2-(phenylcarbamoyl)azetidine-1,2-dicarboxylate
CID 71698005
ethyl 3-anilino-1,5-dimethylpyrrolidine-3-carboxylate
CID 81467504

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-dimethyl-1-(phenylcarbamoyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2,2-dimethyl-1-(phenylcarbamoyl)cyclopropane-1-carboxylate (CID 11529043) is ethyl 2,2-dimethyl-1-(phenylcarbamoyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2,2-dimethyl-1-(phenylcarbamoyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2,2-dimethyl-1-(phenylcarbamoyl)cyclopropane-1-carboxylate is CCOC(=O)C1(C(=O)Nc2ccccc2)CC1(C)C.
What is the InChIKey of ethyl 2,2-dimethyl-1-(phenylcarbamoyl)cyclopropane-1-carboxylate?
The InChIKey is VKJHKJDDQVYORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-4-19-13(18)15(10-14(15,2)3)12(17)16-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,16,17).
What are the key properties of ethyl 2,2-dimethyl-1-(phenylcarbamoyl)cyclopropane-1-carboxylate?
ethyl 2,2-dimethyl-1-(phenylcarbamoyl)cyclopropane-1-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-dimethyl-1-(phenylcarbamoyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 11529043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).