2-[(2-tert-butylcyclohexyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide

C20H31ClN2O3 — CID 56542989

IUPAC2-[(2-tert-butylcyclohexyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CNC2CCCCC2C(C)(C)C)c(OC)cc1Cl
InChIInChI=1S/C20H31ClN2O3/c1-20(2,3)13-8-6-7-9-15(13)22-12-19(24)23-16-11-17(25-4)14(21)10-18(16)26-5/h10-11,13,15,22H,6-9,12H2,1-5H3,(H,23,24)
InChIKeyNYQVNWUHGJPDDW-UHFFFAOYSA-N
MW382.93 g/mol
LogP4.49
Rot. Bonds6

About 2-[(2-tert-butylcyclohexyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide

2-[(2-tert-butylcyclohexyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide (PubChem CID 56542989) has the molecular formula C20H31ClN2O3 and a molecular weight of 382.93 g/mol. Its IUPAC name is 2-[(2-tert-butylcyclohexyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-tert-butylcyclohexyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
PubChem CID56542989
Molecular FormulaC20H31ClN2O3
Molecular Weight382.93 g/mol
Exact Mass382.20
IUPAC Name2-[(2-tert-butylcyclohexyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CNC2CCCCC2C(C)(C)C)c(OC)cc1Cl
InChIInChI=1S/C20H31ClN2O3/c1-20(2,3)13-8-6-7-9-15(13)22-12-19(24)23-16-11-17(25-4)14(21)10-18(16)26-5/h10-11,13,15,22H,6-9,12H2,1-5H3,(H,23,24)
InChIKeyNYQVNWUHGJPDDW-UHFFFAOYSA-N
XLogP4.49
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.93
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-(cyclohexylcarbamoylamino)acetamide
CID 113001569
2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 110687101
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylcyclohexyl)acetamide
CID 46797821
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide
CID 42026868
N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chloro-2,5-dimethoxyanilino)acetamide
CID 4885055
2-[acetyl(cyclohexyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 113159589
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dichloroanilino)acetamide
CID 42026344
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]butanamide
CID 113001547
3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 60850759
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,5-dimethoxyanilino)acetamide
CID 109009482
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-chloro-2-methylanilino)propanamide
CID 109038365

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylcyclohexyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(2-tert-butylcyclohexyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide (CID 56542989) is 2-[(2-tert-butylcyclohexyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2-tert-butylcyclohexyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(2-tert-butylcyclohexyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)CNC2CCCCC2C(C)(C)C)c(OC)cc1Cl.
What is the InChIKey of 2-[(2-tert-butylcyclohexyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The InChIKey is NYQVNWUHGJPDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN2O3/c1-20(2,3)13-8-6-7-9-15(13)22-12-19(24)23-16-11-17(25-4)14(21)10-18(16)26-5/h10-11,13,15,22H,6-9,12H2,1-5H3,(H,23,24).
What are the key properties of 2-[(2-tert-butylcyclohexyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
2-[(2-tert-butylcyclohexyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide has a molecular weight of 382.93 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylcyclohexyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 56542989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).