N-cyclopropyl-3,5,5-trimethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide

C23H35N3O3 — CID 4615707

IUPACN-cyclopropyl-3,5,5-trimethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide
SMILESCc1ccc(NC(=O)CNC(=O)CN(C(=O)CC(C)CC(C)(C)C)C2CC2)cc1
InChIInChI=1S/C23H35N3O3/c1-16-6-8-18(9-7-16)25-20(27)14-24-21(28)15-26(19-10-11-19)22(29)12-17(2)13-23(3,4)5/h6-9,17,19H,10-15H2,1-5H3,(H,24,28)(H,25,27)
InChIKeyUDBQWPXLFRIHKL-UHFFFAOYSA-N
MW401.55 g/mol
LogP3.50
Rot. Bonds9

About N-cyclopropyl-3,5,5-trimethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide

N-cyclopropyl-3,5,5-trimethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide (PubChem CID 4615707) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is N-cyclopropyl-3,5,5-trimethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide.

Molecular Properties

Compound NameN-cyclopropyl-3,5,5-trimethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide
PubChem CID4615707
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC NameN-cyclopropyl-3,5,5-trimethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide
SMILESCc1ccc(NC(=O)CNC(=O)CN(C(=O)CC(C)CC(C)(C)C)C2CC2)cc1
InChIInChI=1S/C23H35N3O3/c1-16-6-8-18(9-7-16)25-20(27)14-24-21(28)15-26(19-10-11-19)22(29)12-17(2)13-23(3,4)5/h6-9,17,19H,10-15H2,1-5H3,(H,24,28)(H,25,27)
InChIKeyUDBQWPXLFRIHKL-UHFFFAOYSA-N
XLogP3.50
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-3,5,5-trimethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide with MolForge

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Related Compounds

N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 5059734
4-chloro-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4169930
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,5-trimethyl-N-propylhexanamide
CID 4109656
N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide
CID 4071657
4-butoxy-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4601773
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylcyclobutanecarboxamide
CID 3630731
2-chloro-N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 5087238
N-[(4-fluorophenyl)methyl]-3,5,5-trimethyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide
CID 4238055
2-[acetyl(cyclopentyl)amino]-N-(4-methylphenyl)acetamide
CID 113159299
3-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propylbutanamide
CID 5087039
2-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 3569142
2-[[2-[[2-(4-chlorophenoxy)acetyl]-cyclopropylamino]acetyl]amino]-N-(4-methoxyphenyl)acetamide
CID 42770718

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3,5,5-trimethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide?
The IUPAC name of N-cyclopropyl-3,5,5-trimethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide (CID 4615707) is N-cyclopropyl-3,5,5-trimethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide.
What is the SMILES notation for N-cyclopropyl-3,5,5-trimethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide?
The canonical SMILES for N-cyclopropyl-3,5,5-trimethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide is Cc1ccc(NC(=O)CNC(=O)CN(C(=O)CC(C)CC(C)(C)C)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-3,5,5-trimethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide?
The InChIKey is UDBQWPXLFRIHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-16-6-8-18(9-7-16)25-20(27)14-24-21(28)15-26(19-10-11-19)22(29)12-17(2)13-23(3,4)5/h6-9,17,19H,10-15H2,1-5H3,(H,24,28)(H,25,27).
What are the key properties of N-cyclopropyl-3,5,5-trimethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide?
N-cyclopropyl-3,5,5-trimethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide has a molecular weight of 401.55 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3,5,5-trimethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide is sourced from PubChem (CID 4615707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).