N-cyclohexyl-3-methyl-4-[[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]amino]benzamide

C22H32N4O3 — CID 60561835

IUPACN-cyclohexyl-3-methyl-4-[[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]amino]benzamide
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NCC(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C22H32N4O3/c1-16-13-17(22(29)25-18-7-3-2-4-8-18)9-10-19(16)23-14-20(27)24-15-21(28)26-11-5-6-12-26/h9-10,13,18,23H,2-8,11-12,14-15H2,1H3,(H,24,27)(H,25,29)
InChIKeyXATUAHIIBNSBLQ-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.21
Rot. Bonds7

About N-cyclohexyl-3-methyl-4-[[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]amino]benzamide

N-cyclohexyl-3-methyl-4-[[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]amino]benzamide (PubChem CID 60561835) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-cyclohexyl-3-methyl-4-[[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-methyl-4-[[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]amino]benzamide
PubChem CID60561835
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC NameN-cyclohexyl-3-methyl-4-[[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]amino]benzamide
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NCC(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C22H32N4O3/c1-16-13-17(22(29)25-18-7-3-2-4-8-18)9-10-19(16)23-14-20(27)24-15-21(28)26-11-5-6-12-26/h9-10,13,18,23H,2-8,11-12,14-15H2,1H3,(H,24,27)(H,25,29)
InChIKeyXATUAHIIBNSBLQ-UHFFFAOYSA-N
XLogP2.21
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-3-methyl-4-[[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]amino]benzamide with MolForge

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Related Compounds

N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide
CID 48645800
N-cycloheptyl-4-(ethylamino)-3-methylbenzamide
CID 63210563
1-(azocan-1-yl)-2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]ethanone
CID 71934936
N-cyclohexyl-3-methyl-4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]benzamide
CID 55917998
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbenzoic acid
CID 63212554
4-[[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]amino]-N-cyclohexyl-3-methylbenzamide
CID 60539219
4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride
CID 119283092
N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 56796327
N-cyclohexyl-4-[[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide
CID 55917484
1-(azepan-1-yl)-2-(4-bromo-2-methylanilino)ethanone
CID 28572456
N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide
CID 41466640
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methyl-4-[[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-3-methyl-4-[[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]amino]benzamide (CID 60561835) is N-cyclohexyl-3-methyl-4-[[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-3-methyl-4-[[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-3-methyl-4-[[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]amino]benzamide is Cc1cc(C(=O)NC2CCCCC2)ccc1NCC(=O)NCC(=O)N1CCCC1.
What is the InChIKey of N-cyclohexyl-3-methyl-4-[[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]amino]benzamide?
The InChIKey is XATUAHIIBNSBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-16-13-17(22(29)25-18-7-3-2-4-8-18)9-10-19(16)23-14-20(27)24-15-21(28)26-11-5-6-12-26/h9-10,13,18,23H,2-8,11-12,14-15H2,1H3,(H,24,27)(H,25,29).
What are the key properties of N-cyclohexyl-3-methyl-4-[[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]amino]benzamide?
N-cyclohexyl-3-methyl-4-[[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]amino]benzamide has a molecular weight of 400.52 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methyl-4-[[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]amino]benzamide is sourced from PubChem (CID 60561835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).