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

C26H29N3O3 — CID 4986461

IUPACN-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)CN(CC(C)C)C(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C26H29N3O3/c1-18(2)16-29(26(32)23-10-6-8-20-7-4-5-9-22(20)23)17-25(31)27-15-24(30)28-21-13-11-19(3)12-14-21/h4-14,18H,15-17H2,1-3H3,(H,27,31)(H,28,30)
InChIKeySBSNHBCDQZRNBM-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.00
Rot. Bonds8

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

N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-carboxamide (PubChem CID 4986461) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-carboxamide
PubChem CID4986461
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)CN(CC(C)C)C(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C26H29N3O3/c1-18(2)16-29(26(32)23-10-6-8-20-7-4-5-9-22(20)23)17-25(31)27-15-24(30)28-21-13-11-19(3)12-14-21/h4-14,18H,15-17H2,1-3H3,(H,27,31)(H,28,30)
InChIKeySBSNHBCDQZRNBM-UHFFFAOYSA-N
XLogP4.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-carboxamide with MolForge

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Related Compounds

2-methoxy-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3383343
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-carboxamide
CID 3430377
N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-1-carboxamide
CID 3637083
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-(2-methylpropyl)-4-(trifluoromethyl)benzamide
CID 4278376
N-butyl-2-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 5183706
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)nonanamide
CID 3439279
2-(4-fluorophenyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)acetamide
CID 3714711
N-(3-methoxypropyl)-2-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 5223742
4-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)-3-nitrobenzamide
CID 4169626
3-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propylbutanamide
CID 5087039
N-butyl-2-methoxy-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3430043

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-carboxamide?
The IUPAC name of N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-carboxamide (CID 4986461) is N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-carboxamide?
The canonical SMILES for N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-carboxamide is Cc1ccc(NC(=O)CNC(=O)CN(CC(C)C)C(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-carboxamide?
The InChIKey is SBSNHBCDQZRNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-18(2)16-29(26(32)23-10-6-8-20-7-4-5-9-22(20)23)17-25(31)27-15-24(30)28-21-13-11-19(3)12-14-21/h4-14,18H,15-17H2,1-3H3,(H,27,31)(H,28,30).
What are the key properties of N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-carboxamide?
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-carboxamide is sourced from PubChem (CID 4986461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).