3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propylbenzamide

C19H29N3O2 — CID 54838807

IUPAC3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC(=O)N(C)C2CCCCC2)c1
InChIInChI=1S/C19H29N3O2/c1-3-12-20-19(24)15-8-7-9-16(13-15)21-14-18(23)22(2)17-10-5-4-6-11-17/h7-9,13,17,21H,3-6,10-12,14H2,1-2H3,(H,20,24)
InChIKeyJZPHLTKXNSXZQR-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.03
Rot. Bonds7

About 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propylbenzamide

3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propylbenzamide (PubChem CID 54838807) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propylbenzamide
PubChem CID54838807
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC(=O)N(C)C2CCCCC2)c1
InChIInChI=1S/C19H29N3O2/c1-3-12-20-19(24)15-8-7-9-16(13-15)21-14-18(23)22(2)17-10-5-4-6-11-17/h7-9,13,17,21H,3-6,10-12,14H2,1-2H3,(H,20,24)
InChIKeyJZPHLTKXNSXZQR-UHFFFAOYSA-N
XLogP3.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzamide
CID 51210719
3-bromo-N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]benzamide
CID 78828352
N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839417
4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54839256
N-cyclohexyl-N-methyl-2-(3-propoxyanilino)acetamide
CID 54825123
3-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide
CID 60537196
3-(ethylamino)-N-propylbenzamide
CID 43676038
2-(3-acetylanilino)-N-cyclohexyl-N-ethylacetamide
CID 47005247
3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52703555
4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840118
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
N-cyclohexyl-2-(4-iodoanilino)-N-methylacetamide
CID 54812377

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propylbenzamide?
The IUPAC name of 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propylbenzamide (CID 54838807) is 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propylbenzamide.
What is the SMILES notation for 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propylbenzamide?
The canonical SMILES for 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NCC(=O)N(C)C2CCCCC2)c1.
What is the InChIKey of 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propylbenzamide?
The InChIKey is JZPHLTKXNSXZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-12-20-19(24)15-8-7-9-16(13-15)21-14-18(23)22(2)17-10-5-4-6-11-17/h7-9,13,17,21H,3-6,10-12,14H2,1-2H3,(H,20,24).
What are the key properties of 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propylbenzamide?
3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propylbenzamide has a molecular weight of 331.46 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propylbenzamide is sourced from PubChem (CID 54838807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).