2-[(2-tert-butylcyclohexyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide

C21H34N2O2 — CID 56570123

IUPAC2-[(2-tert-butylcyclohexyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CNC2CCCCC2C(C)(C)C)cc1
InChIInChI=1S/C21H34N2O2/c1-21(2,3)18-7-5-6-8-19(18)23-15-20(24)22-14-13-16-9-11-17(25-4)12-10-16/h9-12,18-19,23H,5-8,13-15H2,1-4H3,(H,22,24)
InChIKeyKUMWAHKUHYXETQ-UHFFFAOYSA-N
MW346.51 g/mol
LogP3.55
Rot. Bonds7

About 2-[(2-tert-butylcyclohexyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-[(2-tert-butylcyclohexyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 56570123) has the molecular formula C21H34N2O2 and a molecular weight of 346.51 g/mol. Its IUPAC name is 2-[(2-tert-butylcyclohexyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2-tert-butylcyclohexyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID56570123
Molecular FormulaC21H34N2O2
Molecular Weight346.51 g/mol
Exact Mass346.26
IUPAC Name2-[(2-tert-butylcyclohexyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CNC2CCCCC2C(C)(C)C)cc1
InChIInChI=1S/C21H34N2O2/c1-21(2,3)18-7-5-6-8-19(18)23-15-20(24)22-14-13-16-9-11-17(25-4)12-10-16/h9-12,18-19,23H,5-8,13-15H2,1-4H3,(H,22,24)
InChIKeyKUMWAHKUHYXETQ-UHFFFAOYSA-N
XLogP3.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-tert-butylcyclohexyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 55698129
N-benzyl-2-[(2-tert-butylcyclohexyl)amino]acetamide
CID 55868668
2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65264125
2-(4-tert-butylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 109001296
N-cycloheptyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964428
N-[2-(4-methoxyphenyl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
CID 112993636
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] cyclopropanecarboxylate
CID 2376869
N-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371395
2-(4-methoxyphenyl)-N-[(1S,2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]cyclohexyl]acetamide
CID 1012646
N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylpiperidine-1-carboxamide
CID 108901943
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2710099
3-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2710098

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylcyclohexyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[(2-tert-butylcyclohexyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 56570123) is 2-[(2-tert-butylcyclohexyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(2-tert-butylcyclohexyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(2-tert-butylcyclohexyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CNC2CCCCC2C(C)(C)C)cc1.
What is the InChIKey of 2-[(2-tert-butylcyclohexyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is KUMWAHKUHYXETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-21(2,3)18-7-5-6-8-19(18)23-15-20(24)22-14-13-16-9-11-17(25-4)12-10-16/h9-12,18-19,23H,5-8,13-15H2,1-4H3,(H,22,24).
What are the key properties of 2-[(2-tert-butylcyclohexyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-[(2-tert-butylcyclohexyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 346.51 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylcyclohexyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 56570123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).