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

C17H28N2O — CID 81298338

IUPACN-tert-butyl-2-[1-(4-propylphenyl)ethylamino]acetamide
SMILESCCCc1ccc(C(C)NCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-6-7-14-8-10-15(11-9-14)13(2)18-12-16(20)19-17(3,4)5/h8-11,13,18H,6-7,12H2,1-5H3,(H,19,20)
InChIKeyVCZJNJWMRBNMAB-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.20
Rot. Bonds6

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

N-tert-butyl-2-[1-(4-propylphenyl)ethylamino]acetamide (PubChem CID 81298338) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-tert-butyl-2-[1-(4-propylphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[1-(4-propylphenyl)ethylamino]acetamide
PubChem CID81298338
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-tert-butyl-2-[1-(4-propylphenyl)ethylamino]acetamide
SMILESCCCc1ccc(C(C)NCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-6-7-14-8-10-15(11-9-14)13(2)18-12-16(20)19-17(3,4)5/h8-11,13,18H,6-7,12H2,1-5H3,(H,19,20)
InChIKeyVCZJNJWMRBNMAB-UHFFFAOYSA-N
XLogP3.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide
CID 78913238
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide
CID 81359238
2-[[(1S)-1-(4-propylphenyl)ethyl]amino]acetamide
CID 30045539
N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 28564730
N-tert-butyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 115356169
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
2-[1-(4-ethylphenyl)ethylamino]-N-methylacetamide
CID 43214669
N-tert-butyl-2-(1-thiophen-3-ylethylamino)acetamide
CID 62842048
2-[1-(4-ethylphenyl)ethylamino]-N-pentan-2-ylacetamide
CID 60693789
N-tert-butyl-2-[1-(3,4-dimethoxyphenyl)ethylamino]acetamide
CID 61172776
N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 106899436
(2R)-1-[1-(4-propylphenyl)ethylamino]propan-2-ol
CID 103906705

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-(4-propylphenyl)ethylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[1-(4-propylphenyl)ethylamino]acetamide (CID 81298338) is N-tert-butyl-2-[1-(4-propylphenyl)ethylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[1-(4-propylphenyl)ethylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[1-(4-propylphenyl)ethylamino]acetamide is CCCc1ccc(C(C)NCC(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[1-(4-propylphenyl)ethylamino]acetamide?
The InChIKey is VCZJNJWMRBNMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-6-7-14-8-10-15(11-9-14)13(2)18-12-16(20)19-17(3,4)5/h8-11,13,18H,6-7,12H2,1-5H3,(H,19,20).
What are the key properties of N-tert-butyl-2-[1-(4-propylphenyl)ethylamino]acetamide?
N-tert-butyl-2-[1-(4-propylphenyl)ethylamino]acetamide has a molecular weight of 276.42 g/mol, XLogP of 3.20, 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-propylphenyl)ethylamino]acetamide is sourced from PubChem (CID 81298338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).