N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-1-carboxamide

C26H29N3O3 — CID 3637083

IUPACN-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-1-carboxamide
SMILESCCCCN(CC(=O)NCC(=O)Nc1ccc(C)cc1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C26H29N3O3/c1-3-4-16-29(26(32)23-11-7-9-20-8-5-6-10-22(20)23)18-25(31)27-17-24(30)28-21-14-12-19(2)13-15-21/h5-15H,3-4,16-18H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyYDLHAGHQLGQOPL-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.15
Rot. Bonds9

About N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-1-carboxamide

N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-1-carboxamide (PubChem CID 3637083) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-1-carboxamide
PubChem CID3637083
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-1-carboxamide
SMILESCCCCN(CC(=O)NCC(=O)Nc1ccc(C)cc1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C26H29N3O3/c1-3-4-16-29(26(32)23-11-7-9-20-8-5-6-10-22(20)23)18-25(31)27-17-24(30)28-21-14-12-19(2)13-15-21/h5-15H,3-4,16-18H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyYDLHAGHQLGQOPL-UHFFFAOYSA-N
XLogP4.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 5183706
N-butyl-2-methoxy-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3430043
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-carboxamide
CID 4986461
N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3597840
N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-1-carboxamide
CID 5184382
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-carboxamide
CID 3430377
N-(3-methoxypropyl)-2-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 5223742
(2R)-N-butyl-2-ethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide
CID 7330763
2-[acetyl(butyl)amino]-N-(4-methylphenyl)acetamide
CID 113158704
N-butyl-N-[3-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]naphthalene-1-carboxamide
CID 3533468
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide
CID 42768818
N-[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-4-phenyl-N-propylbenzamide
CID 3927275

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-1-carboxamide?
The IUPAC name of N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-1-carboxamide (CID 3637083) is N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-1-carboxamide is CCCCN(CC(=O)NCC(=O)Nc1ccc(C)cc1)C(=O)c1cccc2ccccc12.
What is the InChIKey of N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-1-carboxamide?
The InChIKey is YDLHAGHQLGQOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-3-4-16-29(26(32)23-11-7-9-20-8-5-6-10-22(20)23)18-25(31)27-17-24(30)28-21-14-12-19(2)13-15-21/h5-15H,3-4,16-18H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-1-carboxamide?
N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-1-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 3637083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).