N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-2-carboxamide

C27H25N3O4 — CID 3544918

IUPACN-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-2-carboxamide
SMILESCc1cccc(NC(=O)CNC(=O)CN(Cc2ccco2)C(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C27H25N3O4/c1-19-6-4-9-23(14-19)29-25(31)16-28-26(32)18-30(17-24-10-5-13-34-24)27(33)22-12-11-20-7-2-3-8-21(20)15-22/h2-15H,16-18H2,1H3,(H,28,32)(H,29,31)
InChIKeyIHRYTCNJEQXNIP-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.14
Rot. Bonds8

About N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-2-carboxamide

N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-2-carboxamide (PubChem CID 3544918) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-2-carboxamide
PubChem CID3544918
Molecular FormulaC27H25N3O4
Molecular Weight455.51 g/mol
Exact Mass455.18
IUPAC NameN-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-2-carboxamide
SMILESCc1cccc(NC(=O)CNC(=O)CN(Cc2ccco2)C(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C27H25N3O4/c1-19-6-4-9-23(14-19)29-25(31)16-28-26(32)18-30(17-24-10-5-13-34-24)27(33)22-12-11-20-7-2-3-8-21(20)15-22/h2-15H,16-18H2,1H3,(H,28,32)(H,29,31)
InChIKeyIHRYTCNJEQXNIP-UHFFFAOYSA-N
XLogP4.14
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-3-methyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]butanamide
CID 3887982
N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 3686733
N-(furan-2-ylmethyl)-N-[2-(3-methylanilino)-2-oxoethyl]-3-nitrobenzamide
CID 1124594
3,4-dichloro-N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3663549
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-4-phenylbenzamide
CID 18291878
3-fluoro-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3887370
N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 3895120
N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3-phenylpropanamide
CID 4064620
N-benzyl-2-methyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 3895122
2-[[2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide
CID 5067624
N-(3-acetylphenyl)-2-[bis(furan-2-ylmethyl)amino]acetamide
CID 8840674
N-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810881

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-2-carboxamide (CID 3544918) is N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-2-carboxamide is Cc1cccc(NC(=O)CNC(=O)CN(Cc2ccco2)C(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-2-carboxamide?
The InChIKey is IHRYTCNJEQXNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4/c1-19-6-4-9-23(14-19)29-25(31)16-28-26(32)18-30(17-24-10-5-13-34-24)27(33)22-12-11-20-7-2-3-8-21(20)15-22/h2-15H,16-18H2,1H3,(H,28,32)(H,29,31).
What are the key properties of N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-2-carboxamide?
N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-2-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 3544918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).