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

C23H23N3O4 — CID 24638837

IUPAC3-(cyclopropanecarbonylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)c1cc2ccccc2cc1NC(=O)C1CC1
InChIInChI=1S/C23H23N3O4/c1-26(14-21(27)24-13-18-7-4-10-30-18)23(29)19-11-16-5-2-3-6-17(16)12-20(19)25-22(28)15-8-9-15/h2-7,10-12,15H,8-9,13-14H2,1H3,(H,24,27)(H,25,28)
InChIKeyDGWUDEJTVJWRKZ-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.17
Rot. Bonds7

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

3-(cyclopropanecarbonylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide (PubChem CID 24638837) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
PubChem CID24638837
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name3-(cyclopropanecarbonylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)c1cc2ccccc2cc1NC(=O)C1CC1
InChIInChI=1S/C23H23N3O4/c1-26(14-21(27)24-13-18-7-4-10-30-18)23(29)19-11-16-5-2-3-6-17(16)12-20(19)25-22(28)15-8-9-15/h2-7,10-12,15H,8-9,13-14H2,1H3,(H,24,27)(H,25,28)
InChIKeyDGWUDEJTVJWRKZ-UHFFFAOYSA-N
XLogP3.17
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
CID 24638867
3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]naphthalene-2-carboxamide
CID 135876422
2-(5-chlorothiophen-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
CID 18160155
2-(4-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
CID 17472100
4-N-(4-chloro-2-methylphenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147825
2-[azepan-4-yl(methyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 107173449
3-(cyclopropanecarbonylamino)naphthalene-2-carboxylate
CID 7131661
N-[3-[[2-(furan-2-ylmethylamino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54818995
N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 18568277
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
methyl 1-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 9254514
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
CID 24638864

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide (CID 24638837) is 3-(cyclopropanecarbonylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide is CN(CC(=O)NCc1ccco1)C(=O)c1cc2ccccc2cc1NC(=O)C1CC1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide?
The InChIKey is DGWUDEJTVJWRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-26(14-21(27)24-13-18-7-4-10-30-18)23(29)19-11-16-5-2-3-6-17(16)12-20(19)25-22(28)15-8-9-15/h2-7,10-12,15H,8-9,13-14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide?
3-(cyclopropanecarbonylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 24638837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).