benzyl N-(1-carbamoyl-2-phenylcyclopropyl)carbamate

C18H18N2O3 — CID 143923916

IUPACbenzyl N-(1-carbamoyl-2-phenylcyclopropyl)carbamate
SMILESNC(=O)C1(NC(=O)OCc2ccccc2)CC1c1ccccc1
InChIInChI=1S/C18H18N2O3/c19-16(21)18(11-15(18)14-9-5-2-6-10-14)20-17(22)23-12-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H2,19,21)(H,20,22)
InChIKeyFQQBYAMDBNKFIR-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.32
Rot. Bonds5

About benzyl N-(1-carbamoyl-2-phenylcyclopropyl)carbamate

benzyl N-(1-carbamoyl-2-phenylcyclopropyl)carbamate (PubChem CID 143923916) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is benzyl N-(1-carbamoyl-2-phenylcyclopropyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-carbamoyl-2-phenylcyclopropyl)carbamate
PubChem CID143923916
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Namebenzyl N-(1-carbamoyl-2-phenylcyclopropyl)carbamate
SMILESNC(=O)C1(NC(=O)OCc2ccccc2)CC1c1ccccc1
InChIInChI=1S/C18H18N2O3/c19-16(21)18(11-15(18)14-9-5-2-6-10-14)20-17(22)23-12-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H2,19,21)(H,20,22)
InChIKeyFQQBYAMDBNKFIR-UHFFFAOYSA-N
XLogP2.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-1-(phenylmethoxycarbonylamino)cyclobutane-1-carboxylic acid
CID 131162341
benzyl N-(4-carbamoyl-1-bicyclo[2.2.2]octanyl)carbamate
CID 23150697
3-benzyl-1-(phenylmethoxycarbonylamino)cyclobutane-1-carboxylic acid
CID 167738824
benzyl N-(3-carbamoyl-9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)carbamate
CID 171936817
benzyl N-(3-amino-1-bicyclo[1.1.1]pentanyl)carbamate
CID 154728317
benzyl N-[(3-amino-1-hydroxycyclobutyl)methyl]carbamate
CID 168763151
benzyl N-(carbamoylamino)carbamate
CID 141421180
methyl 2-(1,1-difluoro-2-phenylethyl)-1-(phenylmethoxycarbonylamino)cyclopropane-1-carboxylate
CID 163665985
dimethyl (1S,2S,4S,5S)-2-(phenylmethoxycarbonylamino)bicyclo[2.1.1]hexane-2,5-dicarboxylate
CID 10617631
dimethyl 2-(phenylmethoxycarbonylamino)bicyclo[2.1.1]hexane-2,5-dicarboxylate
CID 59086257
2-ethyl-1-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 103670874
3-(phenylmethoxycarbonylamino)-8-oxabicyclo[3.2.1]octane-3-carboxylic acid
CID 167724163

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-carbamoyl-2-phenylcyclopropyl)carbamate?
The IUPAC name of benzyl N-(1-carbamoyl-2-phenylcyclopropyl)carbamate (CID 143923916) is benzyl N-(1-carbamoyl-2-phenylcyclopropyl)carbamate.
What is the SMILES notation for benzyl N-(1-carbamoyl-2-phenylcyclopropyl)carbamate?
The canonical SMILES for benzyl N-(1-carbamoyl-2-phenylcyclopropyl)carbamate is NC(=O)C1(NC(=O)OCc2ccccc2)CC1c1ccccc1.
What is the InChIKey of benzyl N-(1-carbamoyl-2-phenylcyclopropyl)carbamate?
The InChIKey is FQQBYAMDBNKFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c19-16(21)18(11-15(18)14-9-5-2-6-10-14)20-17(22)23-12-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H2,19,21)(H,20,22).
What are the key properties of benzyl N-(1-carbamoyl-2-phenylcyclopropyl)carbamate?
benzyl N-(1-carbamoyl-2-phenylcyclopropyl)carbamate has a molecular weight of 310.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-carbamoyl-2-phenylcyclopropyl)carbamate is sourced from PubChem (CID 143923916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).