4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide

C24H31N3O2 — CID 54817498

IUPAC4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NC(=O)CN(C)C2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C24H31N3O2/c1-18(19-9-5-3-6-10-19)25-24(29)20-13-15-21(16-14-20)26-23(28)17-27(2)22-11-7-4-8-12-22/h3,5-6,9-10,13-16,18,22H,4,7-8,11-12,17H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyRKHHWXVMCZXJTB-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.38
Rot. Bonds7

About 4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide

4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 54817498) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID54817498
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NC(=O)CN(C)C2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C24H31N3O2/c1-18(19-9-5-3-6-10-19)25-24(29)20-13-15-21(16-14-20)26-23(28)17-27(2)22-11-7-4-8-12-22/h3,5-6,9-10,13-16,18,22H,4,7-8,11-12,17H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyRKHHWXVMCZXJTB-UHFFFAOYSA-N
XLogP4.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl(methyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 8004439
2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
N-tert-butyl-4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzamide
CID 54817284
4-acetamido-N-(1-phenylethyl)benzamide
CID 2841785
4-benzamido-N-(1-phenylethyl)benzamide
CID 17153199
4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54816800
2-[azepan-4-yl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 104979577
4-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 16576369
4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54838229
N-cyclohexyl-3-[[2-[4-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846290
4-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43887548
4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846054

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide (CID 54817498) is 4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccc(NC(=O)CN(C)C2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of 4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is RKHHWXVMCZXJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18(19-9-5-3-6-10-19)25-24(29)20-13-15-21(16-14-20)26-23(28)17-27(2)22-11-7-4-8-12-22/h3,5-6,9-10,13-16,18,22H,4,7-8,11-12,17H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide?
4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 393.53 g/mol, XLogP of 4.38, 7 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]acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 54817498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).