N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide

C15H21N3O3 — CID 115571333

IUPACN-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide
SMILESCOc1ccc(NC(=O)CNCCNC(=O)C2CC2)cc1
InChIInChI=1S/C15H21N3O3/c1-21-13-6-4-12(5-7-13)18-14(19)10-16-8-9-17-15(20)11-2-3-11/h4-7,11,16H,2-3,8-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyUASLORMCIJLQRF-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.75
Rot. Bonds8

About N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide

N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide (PubChem CID 115571333) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide
PubChem CID115571333
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide
SMILESCOc1ccc(NC(=O)CNCCNC(=O)C2CC2)cc1
InChIInChI=1S/C15H21N3O3/c1-21-13-6-4-12(5-7-13)18-14(19)10-16-8-9-17-15(20)11-2-3-11/h4-7,11,16H,2-3,8-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyUASLORMCIJLQRF-UHFFFAOYSA-N
XLogP0.75
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144385
2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585
N-[2-(4-methoxyphenyl)ethyl]-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16809626
2-(ethylamino)-N-(4-methoxyphenyl)acetamide
CID 2113294
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687188
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
4-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149176
2-cyclopropyl-N-(4-methoxyphenyl)acetamide
CID 3008382
N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 46410880
2-(heptylamino)-N-(4-methoxyphenyl)acetamide
CID 54814691
2-(hex-5-ynylamino)-N-(4-methoxyphenyl)acetamide
CID 106211596
[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
CID 67025275

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide (CID 115571333) is N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide is COc1ccc(NC(=O)CNCCNC(=O)C2CC2)cc1.
What is the InChIKey of N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is UASLORMCIJLQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-21-13-6-4-12(5-7-13)18-14(19)10-16-8-9-17-15(20)11-2-3-11/h4-7,11,16H,2-3,8-10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.75, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115571333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).