N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide

C18H26ClN3O2 — CID 113054788

IUPACN-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNC(=O)NC1CCCCC1)Cc1ccccc1Cl
InChIInChI=1S/C18H26ClN3O2/c1-14(23)22(13-15-7-5-6-10-17(15)19)12-11-20-18(24)21-16-8-3-2-4-9-16/h5-7,10,16H,2-4,8-9,11-13H2,1H3,(H2,20,21,24)
InChIKeyOBNMXYKIZRALTR-UHFFFAOYSA-N
MW351.88 g/mol
LogP3.32
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide

N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide (PubChem CID 113054788) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide
PubChem CID113054788
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC NameN-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNC(=O)NC1CCCCC1)Cc1ccccc1Cl
InChIInChI=1S/C18H26ClN3O2/c1-14(23)22(13-15-7-5-6-10-17(15)19)12-11-20-18(24)21-16-8-3-2-4-9-16/h5-7,10,16H,2-4,8-9,11-13H2,1H3,(H2,20,21,24)
InChIKeyOBNMXYKIZRALTR-UHFFFAOYSA-N
XLogP3.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113054795
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 113054591
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-cyclopentylacetamide
CID 113162520
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113055684
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-phenylacetamide
CID 113057217
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113055342
N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2,2-dimethylpropanamide
CID 113054741
1-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-3-cyclohexylurea
CID 100744275
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(2,5-dichlorophenyl)acetamide
CID 113063693
N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2-(4-chlorophenyl)acetamide
CID 113054765
tert-butyl N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]carbamate
CID 113054791
2-[(2-chlorophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide
CID 46801701

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide (CID 113054788) is N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide is CC(=O)N(CCNC(=O)NC1CCCCC1)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide?
The InChIKey is OBNMXYKIZRALTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-14(23)22(13-15-7-5-6-10-17(15)19)12-11-20-18(24)21-16-8-3-2-4-9-16/h5-7,10,16H,2-4,8-9,11-13H2,1H3,(H2,20,21,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide?
N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide has a molecular weight of 351.88 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide is sourced from PubChem (CID 113054788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).