cyclopropyl-(4-phenylmethoxyphenyl)carbamic acid

C17H17NO3 — CID 67143911

IUPACcyclopropyl-(4-phenylmethoxyphenyl)carbamic acid
SMILESO=C(O)N(c1ccc(OCc2ccccc2)cc1)C1CC1
InChIInChI=1S/C17H17NO3/c19-17(20)18(14-6-7-14)15-8-10-16(11-9-15)21-12-13-4-2-1-3-5-13/h1-5,8-11,14H,6-7,12H2,(H,19,20)
InChIKeyWLUQWGOCAPLXCN-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.91
Rot. Bonds5

About cyclopropyl-(4-phenylmethoxyphenyl)carbamic acid

cyclopropyl-(4-phenylmethoxyphenyl)carbamic acid (PubChem CID 67143911) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is cyclopropyl-(4-phenylmethoxyphenyl)carbamic acid.

Molecular Properties

Compound Namecyclopropyl-(4-phenylmethoxyphenyl)carbamic acid
PubChem CID67143911
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namecyclopropyl-(4-phenylmethoxyphenyl)carbamic acid
SMILESO=C(O)N(c1ccc(OCc2ccccc2)cc1)C1CC1
InChIInChI=1S/C17H17NO3/c19-17(20)18(14-6-7-14)15-8-10-16(11-9-15)21-12-13-4-2-1-3-5-13/h1-5,8-11,14H,6-7,12H2,(H,19,20)
InChIKeyWLUQWGOCAPLXCN-UHFFFAOYSA-N
XLogP3.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-(4-phenylmethoxyphenyl)methanone
CID 6482534
1-[(2S)-oxiran-2-yl]ethyl-(4-phenylmethoxyphenyl)carbamic acid
CID 87654320
4-phenylmethoxybenzoic acid
CID 68896574
benzyl N-(4-methylcyclohexyl)-N-phenylcarbamate
CID 71093991
3-[acetyl(cyclopropyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 113115474
4-(4-phenylmethoxyphenyl)cyclohexan-1-ol
CID 19602799
1-ethyl-1-(4-phenylmethoxyphenyl)urea
CID 67835509
benzyl 4-(4-phenylmethoxyphenyl)cyclohexane-1-carboxylate
CID 18655707
1-[2-(N-cyclopropyl-4-phenylmethoxyanilino)-4-methylpiperazin-1-yl]propan-1-one
CID 174793617
2-amino-1-(4-phenylmethoxyphenyl)ethanone
CID 14579463
2-chloro-1-(4-phenylmethoxyphenyl)ethanone
CID 14579462
5-(4-phenylmethoxyphenoxy)pentanoic acid
CID 11695119

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(4-phenylmethoxyphenyl)carbamic acid?
The IUPAC name of cyclopropyl-(4-phenylmethoxyphenyl)carbamic acid (CID 67143911) is cyclopropyl-(4-phenylmethoxyphenyl)carbamic acid.
What is the SMILES notation for cyclopropyl-(4-phenylmethoxyphenyl)carbamic acid?
The canonical SMILES for cyclopropyl-(4-phenylmethoxyphenyl)carbamic acid is O=C(O)N(c1ccc(OCc2ccccc2)cc1)C1CC1.
What is the InChIKey of cyclopropyl-(4-phenylmethoxyphenyl)carbamic acid?
The InChIKey is WLUQWGOCAPLXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-17(20)18(14-6-7-14)15-8-10-16(11-9-15)21-12-13-4-2-1-3-5-13/h1-5,8-11,14H,6-7,12H2,(H,19,20).
What are the key properties of cyclopropyl-(4-phenylmethoxyphenyl)carbamic acid?
cyclopropyl-(4-phenylmethoxyphenyl)carbamic acid has a molecular weight of 283.33 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(4-phenylmethoxyphenyl)carbamic acid is sourced from PubChem (CID 67143911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).