N-cyclohexyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide

C20H29N3O3 — CID 54843811

IUPACN-cyclohexyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
SMILESO=C(CNc1ccc(C(=O)NC2CCCCC2)cc1)NCC1CCCO1
InChIInChI=1S/C20H29N3O3/c24-19(22-13-18-7-4-12-26-18)14-21-16-10-8-15(9-11-16)20(25)23-17-5-2-1-3-6-17/h8-11,17-18,21H,1-7,12-14H2,(H,22,24)(H,23,25)
InChIKeyCKXCJTOOXWOERY-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.46
Rot. Bonds7

About N-cyclohexyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide

N-cyclohexyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide (PubChem CID 54843811) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-cyclohexyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
PubChem CID54843811
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-cyclohexyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
SMILESO=C(CNc1ccc(C(=O)NC2CCCCC2)cc1)NCC1CCCO1
InChIInChI=1S/C20H29N3O3/c24-19(22-13-18-7-4-12-26-18)14-21-16-10-8-15(9-11-16)20(25)23-17-5-2-1-3-6-17/h8-11,17-18,21H,1-7,12-14H2,(H,22,24)(H,23,25)
InChIKeyCKXCJTOOXWOERY-UHFFFAOYSA-N
XLogP2.46
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
CID 54835847
N,N-dimethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
CID 54840683
4-(cyclohexylcarbamoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42579542
N,N-diethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
CID 54834167
2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54811659
N-cyclohexyl-4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54844064
4-[[2-(cyclohexylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54816576
N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 108994393
2-(4-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54820456
4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836660
1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 134039404
4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836415

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide (CID 54843811) is N-cyclohexyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide is O=C(CNc1ccc(C(=O)NC2CCCCC2)cc1)NCC1CCCO1.
What is the InChIKey of N-cyclohexyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide?
The InChIKey is CKXCJTOOXWOERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c24-19(22-13-18-7-4-12-26-18)14-21-16-10-8-15(9-11-16)20(25)23-17-5-2-1-3-6-17/h8-11,17-18,21H,1-7,12-14H2,(H,22,24)(H,23,25).
What are the key properties of N-cyclohexyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide?
N-cyclohexyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide has a molecular weight of 359.47 g/mol, XLogP of 2.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide is sourced from PubChem (CID 54843811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).