3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide

C20H22N2O4 — CID 55879231

IUPAC3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide
SMILESCOCCOc1cccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C20H22N2O4/c1-25-10-11-26-18-7-3-6-17(13-18)22-20(24)15-4-2-5-16(12-15)21-19(23)14-8-9-14/h2-7,12-14H,8-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyJQQOKZONIFBPJM-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.31
Rot. Bonds8

About 3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide

3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide (PubChem CID 55879231) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide
PubChem CID55879231
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide
SMILESCOCCOc1cccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C20H22N2O4/c1-25-10-11-26-18-7-3-6-17(13-18)22-20(24)15-4-2-5-16(12-15)21-19(23)14-8-9-14/h2-7,12-14H,8-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyJQQOKZONIFBPJM-UHFFFAOYSA-N
XLogP3.31
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
N-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]cyclopropanecarboxamide
CID 112830319
3-(cyclopropanecarbonylamino)-N-(3-phenoxypropyl)benzamide
CID 33047741
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
[3-[[3-(cyclopropanecarbonylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927861
3-(cyclopropanecarbonylamino)-N-(4-phenoxyphenyl)benzamide
CID 34757379
3-(cyclopropanecarbonylamino)-N-(3-ethylphenyl)benzamide
CID 32736931
3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-N-cyclopropylbenzamide
CID 46603028
N-[3-(3-methoxypropoxy)phenyl]benzamide
CID 86997539
N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 35436954
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
3-(cyclohexanecarbonylamino)-N-(2-methoxyethyl)benzamide
CID 17218956

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide (CID 55879231) is 3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide is COCCOc1cccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)c1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide?
The InChIKey is JQQOKZONIFBPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-25-10-11-26-18-7-3-6-17(13-18)22-20(24)15-4-2-5-16(12-15)21-19(23)14-8-9-14/h2-7,12-14H,8-11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide?
3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide has a molecular weight of 354.41 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide is sourced from PubChem (CID 55879231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).