N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide

C25H31N3O3 — CID 3895128

IUPACN-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCc1cccc(NC(=O)CNC(=O)CN(Cc2ccccc2)C(=O)C2CCCCC2)c1
InChIInChI=1S/C25H31N3O3/c1-19-9-8-14-22(15-19)27-23(29)16-26-24(30)18-28(17-20-10-4-2-5-11-20)25(31)21-12-6-3-7-13-21/h2,4-5,8-11,14-15,21H,3,6-7,12-13,16-18H2,1H3,(H,26,30)(H,27,29)
InChIKeyYZQXXVDSCWGFBR-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.66
Rot. Bonds8

About N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide

N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 3895128) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID3895128
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCc1cccc(NC(=O)CNC(=O)CN(Cc2ccccc2)C(=O)C2CCCCC2)c1
InChIInChI=1S/C25H31N3O3/c1-19-9-8-14-22(15-19)27-23(29)16-26-24(30)18-28(17-20-10-4-2-5-11-20)25(31)21-12-6-3-7-13-21/h2,4-5,8-11,14-15,21H,3,6-7,12-13,16-18H2,1H3,(H,26,30)(H,27,29)
InChIKeyYZQXXVDSCWGFBR-UHFFFAOYSA-N
XLogP3.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 3686733
N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 3895120
N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4183323
N-benzyl-2-methyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 3895122
N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide
CID 4002372
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 4276041
N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide
CID 42859607
3-fluoro-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3887370
N-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]butanamide
CID 4620611
3-N-benzyl-3-N-cyclopropyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55820118
N-benzyl-N-[2-oxo-2-[4-(1,3-thiazol-4-yl)anilino]ethyl]cyclohexanecarboxamide
CID 5272491

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide (CID 3895128) is N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide is Cc1cccc(NC(=O)CNC(=O)CN(Cc2ccccc2)C(=O)C2CCCCC2)c1.
What is the InChIKey of N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is YZQXXVDSCWGFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-19-9-8-14-22(15-19)27-23(29)16-26-24(30)18-28(17-20-10-4-2-5-11-20)25(31)21-12-6-3-7-13-21/h2,4-5,8-11,14-15,21H,3,6-7,12-13,16-18H2,1H3,(H,26,30)(H,27,29).
What are the key properties of N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide?
N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 421.54 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 3895128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).