N-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide

C18H30N2O — CID 78913238

IUPACN-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide
SMILESCC(C)Cc1ccc(C(C)NCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-13(2)11-15-7-9-16(10-8-15)14(3)19-12-17(21)20-18(4,5)6/h7-10,13-14,19H,11-12H2,1-6H3,(H,20,21)
InChIKeyANJMSJRDFXKOAL-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.45
Rot. Bonds6

About N-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide

N-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide (PubChem CID 78913238) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide
PubChem CID78913238
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide
SMILESCC(C)Cc1ccc(C(C)NCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-13(2)11-15-7-9-16(10-8-15)14(3)19-12-17(21)20-18(4,5)6/h7-10,13-14,19H,11-12H2,1-6H3,(H,20,21)
InChIKeyANJMSJRDFXKOAL-UHFFFAOYSA-N
XLogP3.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[1-(4-propylphenyl)ethylamino]acetamide
CID 81298338
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide
CID 81359238
N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 28564730
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylacetamide
CID 43400934
N-cyclopropyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide
CID 43398065
N-tert-butyl-2-[[N'-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111298702
N-tert-butyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 115356169
2-[1-(4-bromophenyl)propan-2-ylamino]-N-tert-butylacetamide
CID 103522146
2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol
CID 63239146
2-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-en-1-amine
CID 113464994
N-tert-butyl-2-(1-thiophen-3-ylethylamino)acetamide
CID 62842048
N-tert-butyl-2-[1-(3,4-dimethoxyphenyl)ethylamino]acetamide
CID 61172776

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide (CID 78913238) is N-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide is CC(C)Cc1ccc(C(C)NCC(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide?
The InChIKey is ANJMSJRDFXKOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13(2)11-15-7-9-16(10-8-15)14(3)19-12-17(21)20-18(4,5)6/h7-10,13-14,19H,11-12H2,1-6H3,(H,20,21).
What are the key properties of N-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide?
N-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide has a molecular weight of 290.45 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide is sourced from PubChem (CID 78913238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).