2-[1-(4-tert-butylphenyl)ethylamino]-N-cyclopropylacetamide

C17H26N2O — CID 43568343

IUPAC2-[1-(4-tert-butylphenyl)ethylamino]-N-cyclopropylacetamide
SMILESCC(NCC(=O)NC1CC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H26N2O/c1-12(18-11-16(20)19-15-9-10-15)13-5-7-14(8-6-13)17(2,3)4/h5-8,12,15,18H,9-11H2,1-4H3,(H,19,20)
InChIKeyUTRLOZGZAVIWSU-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.91
Rot. Bonds5

About 2-[1-(4-tert-butylphenyl)ethylamino]-N-cyclopropylacetamide

2-[1-(4-tert-butylphenyl)ethylamino]-N-cyclopropylacetamide (PubChem CID 43568343) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[1-(4-tert-butylphenyl)ethylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[1-(4-tert-butylphenyl)ethylamino]-N-cyclopropylacetamide
PubChem CID43568343
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[1-(4-tert-butylphenyl)ethylamino]-N-cyclopropylacetamide
SMILESCC(NCC(=O)NC1CC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H26N2O/c1-12(18-11-16(20)19-15-9-10-15)13-5-7-14(8-6-13)17(2,3)4/h5-8,12,15,18H,9-11H2,1-4H3,(H,19,20)
InChIKeyUTRLOZGZAVIWSU-UHFFFAOYSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide
CID 43398074
N-cyclopropyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide
CID 43398065
N-cyclopropyl-2-[1-(3,4-dimethylphenyl)ethylamino]acetamide
CID 43568283
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopentylacetamide
CID 81359637
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81359177
2-(4-tert-butylanilino)-N-cyclopropylacetamide
CID 28571999
N-cycloheptyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 63867372
2-[1-(4-tert-butylphenyl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115663692
N-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409773
N-cyclopropyl-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]acetamide
CID 43401121
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(cyclopropylcarbamoyl)acetamide
CID 9335295
N-cyclopropyl-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 81404358

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-tert-butylphenyl)ethylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[1-(4-tert-butylphenyl)ethylamino]-N-cyclopropylacetamide (CID 43568343) is 2-[1-(4-tert-butylphenyl)ethylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[1-(4-tert-butylphenyl)ethylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[1-(4-tert-butylphenyl)ethylamino]-N-cyclopropylacetamide is CC(NCC(=O)NC1CC1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[1-(4-tert-butylphenyl)ethylamino]-N-cyclopropylacetamide?
The InChIKey is UTRLOZGZAVIWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(18-11-16(20)19-15-9-10-15)13-5-7-14(8-6-13)17(2,3)4/h5-8,12,15,18H,9-11H2,1-4H3,(H,19,20).
What are the key properties of 2-[1-(4-tert-butylphenyl)ethylamino]-N-cyclopropylacetamide?
2-[1-(4-tert-butylphenyl)ethylamino]-N-cyclopropylacetamide has a molecular weight of 274.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-tert-butylphenyl)ethylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 43568343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).