4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide

C19H29N3O2 — CID 54840118

IUPAC4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NCC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C19H29N3O2/c1-14(2)21-19(24)15-9-11-16(12-10-15)20-13-18(23)22(3)17-7-5-4-6-8-17/h9-12,14,17,20H,4-8,13H2,1-3H3,(H,21,24)
InChIKeyFHKWIDYPAKOIKE-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.03
Rot. Bonds6

About 4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide

4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide (PubChem CID 54840118) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
PubChem CID54840118
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NCC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C19H29N3O2/c1-14(2)21-19(24)15-9-11-16(12-10-15)20-13-18(23)22(3)17-7-5-4-6-8-17/h9-12,14,17,20H,4-8,13H2,1-3H3,(H,21,24)
InChIKeyFHKWIDYPAKOIKE-UHFFFAOYSA-N
XLogP3.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54839256
N-cyclohexyl-2-(4-iodoanilino)-N-methylacetamide
CID 54812377
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55887920
N-cyclohexyl-2-(4-hexoxyanilino)-N-methylacetamide
CID 54821088
N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839417
N-cyclohexyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 86911687
4-amino-N-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]benzamide
CID 43213215
N-cyclohexyl-N-methyl-2-(2-propan-2-ylanilino)acetamide
CID 54823199
N-cyclohexyl-N-methyl-2-(1-phenylethylamino)acetamide
CID 54815225
3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838807
N-[1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 51268308
N-[(2R)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 99794724

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide (CID 54840118) is 4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(NCC(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of 4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is FHKWIDYPAKOIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14(2)21-19(24)15-9-11-16(12-10-15)20-13-18(23)22(3)17-7-5-4-6-8-17/h9-12,14,17,20H,4-8,13H2,1-3H3,(H,21,24).
What are the key properties of 4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 331.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 54840118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).