[1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamic acid

C18H18N2O3 — CID 90204150

IUPAC[1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamic acid
SMILESCC(=O)Nc1ccc(C2(NC(=O)O)CC2c2ccccc2)cc1
InChIInChI=1S/C18H18N2O3/c1-12(21)19-15-9-7-14(8-10-15)18(20-17(22)23)11-16(18)13-5-3-2-4-6-13/h2-10,16,20H,11H2,1H3,(H,19,21)(H,22,23)
InChIKeyHVOGBIROAKHUSC-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.30
Rot. Bonds4

About [1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamic acid

[1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamic acid (PubChem CID 90204150) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is [1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamic acid.

Molecular Properties

Compound Name[1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamic acid
PubChem CID90204150
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name[1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamic acid
SMILESCC(=O)Nc1ccc(C2(NC(=O)O)CC2c2ccccc2)cc1
InChIInChI=1S/C18H18N2O3/c1-12(21)19-15-9-7-14(8-10-15)18(20-17(22)23)11-16(18)13-5-3-2-4-6-13/h2-10,16,20H,11H2,1H3,(H,19,21)(H,22,23)
InChIKeyHVOGBIROAKHUSC-UHFFFAOYSA-N
XLogP3.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(1R,2S)-1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamate
CID 118483901
cobalt;N-phenylacetamide
CID 158689050
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
N-phenylacetamide;toluene
CID 175205531
N-(4-phenylphenyl)acetamide
CID 19998
N-(4-hydroxyphenyl)acetamide;N-phenylacetamide
CID 174809741
N-[4-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]acetamide
CID 25010935
N-phenylacetamide;2-phenyladamantane
CID 175533998
acetyl bromide;N-phenylacetamide
CID 175285562
N-(4-methylphenyl)acetamide
CID 7684
(1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 6932479
deuteriomethane;ethane;N-phenylacetamide
CID 91156750

Frequently Asked Questions

What is the IUPAC name of [1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamic acid?
The IUPAC name of [1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamic acid (CID 90204150) is [1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamic acid.
What is the SMILES notation for [1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamic acid?
The canonical SMILES for [1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamic acid is CC(=O)Nc1ccc(C2(NC(=O)O)CC2c2ccccc2)cc1.
What is the InChIKey of [1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamic acid?
The InChIKey is HVOGBIROAKHUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12(21)19-15-9-7-14(8-10-15)18(20-17(22)23)11-16(18)13-5-3-2-4-6-13/h2-10,16,20H,11H2,1H3,(H,19,21)(H,22,23).
What are the key properties of [1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamic acid?
[1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamic acid has a molecular weight of 310.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamic acid is sourced from PubChem (CID 90204150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).