1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide

C17H22N2O3 — CID 50821436

IUPAC1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
SMILESCOCCNC(=O)C1(c2ccc(NC(=O)C3CC3)cc2)CC1
InChIInChI=1S/C17H22N2O3/c1-22-11-10-18-16(21)17(8-9-17)13-4-6-14(7-5-13)19-15(20)12-2-3-12/h4-7,12H,2-3,8-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyUKPMKHIPYJYVHK-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.83
Rot. Bonds7

About 1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide

1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide (PubChem CID 50821436) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
PubChem CID50821436
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
SMILESCOCCNC(=O)C1(c2ccc(NC(=O)C3CC3)cc2)CC1
InChIInChI=1S/C17H22N2O3/c1-22-11-10-18-16(21)17(8-9-17)13-4-6-14(7-5-13)19-15(20)12-2-3-12/h4-7,12H,2-3,8-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyUKPMKHIPYJYVHK-UHFFFAOYSA-N
XLogP1.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-acetamidophenyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 50821434
N-[4-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
CID 112980891
N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]cyclobutanecarboxamide
CID 39231121
N-(2-methoxyethyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide
CID 100788996
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 50822392
4-chloro-N-[4-[1-(2-methoxyethylcarbamoyl)cyclobutyl]phenyl]benzamide
CID 46384111
1-(4-fluorophenyl)-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 112537817
4-chloro-N-[4-[1-(3-methoxypropylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821650
4-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
CID 109146590
1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 20972789
N-(2-methoxyethyl)-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
CID 46378235
N-[6-(2-methoxyethylamino)-3-pyridinyl]cyclopropanecarboxamide
CID 113010317

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide (CID 50821436) is 1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide is COCCNC(=O)C1(c2ccc(NC(=O)C3CC3)cc2)CC1.
What is the InChIKey of 1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide?
The InChIKey is UKPMKHIPYJYVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-22-11-10-18-16(21)17(8-9-17)13-4-6-14(7-5-13)19-15(20)12-2-3-12/h4-7,12H,2-3,8-11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide?
1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 50821436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).