3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide

C22H27N3O3 — CID 39948097

IUPAC3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1cc2ccccc2cc1NC(=O)C1CC1
InChIInChI=1S/C22H27N3O3/c1-4-25(5-2)20(26)14-24(3)22(28)18-12-16-8-6-7-9-17(16)13-19(18)23-21(27)15-10-11-15/h6-9,12-13,15H,4-5,10-11,14H2,1-3H3,(H,23,27)
InChIKeyCOUZWEMRNMSNBA-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.13
Rot. Bonds7

About 3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide

3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide (PubChem CID 39948097) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
PubChem CID39948097
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1cc2ccccc2cc1NC(=O)C1CC1
InChIInChI=1S/C22H27N3O3/c1-4-25(5-2)20(26)14-24(3)22(28)18-12-16-8-6-7-9-17(16)13-19(18)23-21(27)15-10-11-15/h6-9,12-13,15H,4-5,10-11,14H2,1-3H3,(H,23,27)
InChIKeyCOUZWEMRNMSNBA-UHFFFAOYSA-N
XLogP3.13
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropanecarbonylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 24638837
3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]naphthalene-2-carboxamide
CID 135876422
3-(cyclopropanecarbonylamino)naphthalene-2-carboxylate
CID 7131661
3-(cyclopropanecarbonylamino)-N-(2-hydroxypropyl)naphthalene-2-carboxamide
CID 110886656
2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid
CID 60662164
3-(cyclopropanecarbonylamino)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylnaphthalene-2-carboxamide
CID 55866237
3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]naphthalene-2-carboxamide
CID 55660430
3-(cyclopropanecarbonylamino)-N-[2-(methanesulfonamido)-2-oxoethyl]naphthalene-2-carboxamide
CID 166393096
3-(cyclopropanecarbonylamino)-N-(pyridin-4-ylmethyl)naphthalene-2-carboxamide
CID 24595212
3-(cyclopropanecarbonylamino)-N-(2-methyl-2-piperidin-1-ylpropyl)naphthalene-2-carboxamide
CID 47012254
4-N,4-N-diethyl-1-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149427
2-(2-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
CID 31369493

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide (CID 39948097) is 3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide is CCN(CC)C(=O)CN(C)C(=O)c1cc2ccccc2cc1NC(=O)C1CC1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide?
The InChIKey is COUZWEMRNMSNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-4-25(5-2)20(26)14-24(3)22(28)18-12-16-8-6-7-9-17(16)13-19(18)23-21(27)15-10-11-15/h6-9,12-13,15H,4-5,10-11,14H2,1-3H3,(H,23,27).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide?
3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 39948097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).