3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide

C15H21N3O2 — CID 54842743

IUPAC3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide
SMILESNC(=O)c1cccc(NCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C15H21N3O2/c16-15(20)11-5-4-8-13(9-11)17-10-14(19)18-12-6-2-1-3-7-12/h4-5,8-9,12,17H,1-3,6-7,10H2,(H2,16,20)(H,18,19)
InChIKeyBNJIXWLKWMZNDB-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.65
Rot. Bonds5

About 3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide

3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide (PubChem CID 54842743) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide
PubChem CID54842743
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide
SMILESNC(=O)c1cccc(NCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C15H21N3O2/c16-15(20)11-5-4-8-13(9-11)17-10-14(19)18-12-6-2-1-3-7-12/h4-5,8-9,12,17H,1-3,6-7,10H2,(H2,16,20)(H,18,19)
InChIKeyBNJIXWLKWMZNDB-UHFFFAOYSA-N
XLogP1.65
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[2-(cyclopentylamino)-2-oxoethyl]amino]benzoate
CID 108993498
N-cyclohexyl-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843492
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035
3-[[2-(3-benzamidoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54839098
3-(3-acetylanilino)-N-cyclohexylpropanamide
CID 109014054
3-[[2-(carbamoylamino)-2-oxoethyl]amino]benzamide
CID 113218880
3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]benzamide
CID 103600833
N-cyclohexyl-2-(3,4-dicyanoanilino)acetamide
CID 104918996
N-cyclopropyl-2-(3-iodoanilino)acetamide
CID 28829963
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831098
3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54830996
N-cyclohexyl-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide
CID 36913316

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide?
The IUPAC name of 3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide (CID 54842743) is 3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for 3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide is NC(=O)c1cccc(NCC(=O)NC2CCCCC2)c1.
What is the InChIKey of 3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide?
The InChIKey is BNJIXWLKWMZNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-15(20)11-5-4-8-13(9-11)17-10-14(19)18-12-6-2-1-3-7-12/h4-5,8-9,12,17H,1-3,6-7,10H2,(H2,16,20)(H,18,19).
What are the key properties of 3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide?
3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide has a molecular weight of 275.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54842743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).