[1-[4-[4-(3-methoxypropyl)phenyl]phenyl]cyclopropyl]carbamic acid

C20H23NO3 — CID 90046936

IUPAC[1-[4-[4-(3-methoxypropyl)phenyl]phenyl]cyclopropyl]carbamic acid
SMILESCOCCCc1ccc(-c2ccc(C3(NC(=O)O)CC3)cc2)cc1
InChIInChI=1S/C20H23NO3/c1-24-14-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)20(12-13-20)21-19(22)23/h4-11,21H,2-3,12-14H2,1H3,(H,22,23)
InChIKeyQPKOMRRAFYVXEA-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.19
Rot. Bonds7

About [1-[4-[4-(3-methoxypropyl)phenyl]phenyl]cyclopropyl]carbamic acid

[1-[4-[4-(3-methoxypropyl)phenyl]phenyl]cyclopropyl]carbamic acid (PubChem CID 90046936) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [1-[4-[4-(3-methoxypropyl)phenyl]phenyl]cyclopropyl]carbamic acid.

Molecular Properties

Compound Name[1-[4-[4-(3-methoxypropyl)phenyl]phenyl]cyclopropyl]carbamic acid
PubChem CID90046936
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[1-[4-[4-(3-methoxypropyl)phenyl]phenyl]cyclopropyl]carbamic acid
SMILESCOCCCc1ccc(-c2ccc(C3(NC(=O)O)CC3)cc2)cc1
InChIInChI=1S/C20H23NO3/c1-24-14-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)20(12-13-20)21-19(22)23/h4-11,21H,2-3,12-14H2,1H3,(H,22,23)
InChIKeyQPKOMRRAFYVXEA-UHFFFAOYSA-N
XLogP4.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid
CID 121483236
3-[4-(3-methoxypropyl)phenyl]-2-methylpropanoic acid
CID 115112833
3-[4-(3-methoxypropyl)phenyl]propanoic acid
CID 58454931
[1-[4-(3-methoxypropyl)phenyl]cyclobutyl]methanamine
CID 117113157
1-(3-methoxypropyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 108891008
1-(3-methoxypropyl)-3-(1-phenylcyclopentyl)urea
CID 110676480
1-[4-[4-(2-methoxyethoxymethyl)phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 90046930
N-[1-(3,4-dimethoxyphenyl)cyclopropyl]-2-(4-methylphenyl)acetamide
CID 113091414
4-(methoxymethyl)-N-(1-phenylcyclobutyl)benzamide
CID 51273147
4-[4-[4-(4-methylphenyl)butyl]phenyl]benzoic acid
CID 67375612
1-[4-(2-methoxyethyl)phenyl]cyclopropan-1-ol
CID 117283102
(2R)-N-(2-methoxyethyl)-2-methyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 92731010

Frequently Asked Questions

What is the IUPAC name of [1-[4-[4-(3-methoxypropyl)phenyl]phenyl]cyclopropyl]carbamic acid?
The IUPAC name of [1-[4-[4-(3-methoxypropyl)phenyl]phenyl]cyclopropyl]carbamic acid (CID 90046936) is [1-[4-[4-(3-methoxypropyl)phenyl]phenyl]cyclopropyl]carbamic acid.
What is the SMILES notation for [1-[4-[4-(3-methoxypropyl)phenyl]phenyl]cyclopropyl]carbamic acid?
The canonical SMILES for [1-[4-[4-(3-methoxypropyl)phenyl]phenyl]cyclopropyl]carbamic acid is COCCCc1ccc(-c2ccc(C3(NC(=O)O)CC3)cc2)cc1.
What is the InChIKey of [1-[4-[4-(3-methoxypropyl)phenyl]phenyl]cyclopropyl]carbamic acid?
The InChIKey is QPKOMRRAFYVXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-24-14-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)20(12-13-20)21-19(22)23/h4-11,21H,2-3,12-14H2,1H3,(H,22,23).
What are the key properties of [1-[4-[4-(3-methoxypropyl)phenyl]phenyl]cyclopropyl]carbamic acid?
[1-[4-[4-(3-methoxypropyl)phenyl]phenyl]cyclopropyl]carbamic acid has a molecular weight of 325.41 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[4-(3-methoxypropyl)phenyl]phenyl]cyclopropyl]carbamic acid is sourced from PubChem (CID 90046936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).