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

C21H28N2O2 — CID 109001296

IUPAC2-(4-tert-butylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CNc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O2/c1-21(2,3)17-7-9-18(10-8-17)23-15-20(24)22-14-13-16-5-11-19(25-4)12-6-16/h5-12,23H,13-15H2,1-4H3,(H,22,24)
InChIKeyHMBSMCNQIRTKCP-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.76
Rot. Bonds7

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

2-(4-tert-butylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 109001296) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-(4-tert-butylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID109001296
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name2-(4-tert-butylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CNc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O2/c1-21(2,3)17-7-9-18(10-8-17)23-15-20(24)22-14-13-16-5-11-19(25-4)12-6-16/h5-12,23H,13-15H2,1-4H3,(H,22,24)
InChIKeyHMBSMCNQIRTKCP-UHFFFAOYSA-N
XLogP3.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 26437572
2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65264125
2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2960859
N-[2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)anilino]acetamide
CID 109001307
N-[2-(4-tert-butylphenyl)ethyl]-2-(ethylamino)acetamide
CID 115158005
N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide
CID 109025818
1-[[2-(4-methoxyanilino)acetyl]amino]-3-(2-phenylethyl)thiourea
CID 8617393
N-[2-(3-methoxyphenyl)ethyl]-2-(4-phenoxyanilino)acetamide
CID 109001103
4-[2-(4-methoxyphenyl)ethylamino]benzoic acid
CID 62231026
N-[3-(4-methoxyphenyl)propyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56552526
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 27548820
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63535943

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-tert-butylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 109001296) is 2-(4-tert-butylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-tert-butylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CNc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2-(4-tert-butylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is HMBSMCNQIRTKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-21(2,3)17-7-9-18(10-8-17)23-15-20(24)22-14-13-16-5-11-19(25-4)12-6-16/h5-12,23H,13-15H2,1-4H3,(H,22,24).
What are the key properties of 2-(4-tert-butylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-(4-tert-butylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 340.47 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 109001296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).