2-amino-N-[2-(4-tert-butyl-2-methylphenyl)ethyl]propanamide

C16H26N2O — CID 115152518

IUPAC2-amino-N-[2-(4-tert-butyl-2-methylphenyl)ethyl]propanamide
SMILESCc1cc(C(C)(C)C)ccc1CCNC(=O)C(C)N
InChIInChI=1S/C16H26N2O/c1-11-10-14(16(3,4)5)7-6-13(11)8-9-18-15(19)12(2)17/h6-7,10,12H,8-9,17H2,1-5H3,(H,18,19)
InChIKeyYJNYPLMZAJGJTM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.30
Rot. Bonds4

About 2-amino-N-[2-(4-tert-butyl-2-methylphenyl)ethyl]propanamide

2-amino-N-[2-(4-tert-butyl-2-methylphenyl)ethyl]propanamide (PubChem CID 115152518) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-amino-N-[2-(4-tert-butyl-2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-tert-butyl-2-methylphenyl)ethyl]propanamide
PubChem CID115152518
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-amino-N-[2-(4-tert-butyl-2-methylphenyl)ethyl]propanamide
SMILESCc1cc(C(C)(C)C)ccc1CCNC(=O)C(C)N
InChIInChI=1S/C16H26N2O/c1-11-10-14(16(3,4)5)7-6-13(11)8-9-18-15(19)12(2)17/h6-7,10,12H,8-9,17H2,1-5H3,(H,18,19)
InChIKeyYJNYPLMZAJGJTM-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(4-tert-butyl-2-methylphenyl)methyl]propanamide
CID 115152398
2-(4-tert-butyl-2-methylphenyl)ethylcarbamothioic S-acid
CID 115170312
N-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2-hydroxyacetamide
CID 115140102
N-[2-(4-tert-butyl-2-methylphenyl)ethyl]-1-cyanoformamide
CID 115172539
2-amino-3-[2-(4-tert-butyl-2-methylphenyl)ethylamino]propan-1-ol
CID 115120856
2-amino-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]propanamide
CID 115152378
(2R)-2-amino-N-[2-(2-hydroxyphenyl)ethyl]propanamide
CID 120872754
2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 82126464
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263877
(2R)-2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263879
(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 94686299
(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide;hydrochloride
CID 119288877

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-tert-butyl-2-methylphenyl)ethyl]propanamide?
The IUPAC name of 2-amino-N-[2-(4-tert-butyl-2-methylphenyl)ethyl]propanamide (CID 115152518) is 2-amino-N-[2-(4-tert-butyl-2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-amino-N-[2-(4-tert-butyl-2-methylphenyl)ethyl]propanamide?
The canonical SMILES for 2-amino-N-[2-(4-tert-butyl-2-methylphenyl)ethyl]propanamide is Cc1cc(C(C)(C)C)ccc1CCNC(=O)C(C)N.
What is the InChIKey of 2-amino-N-[2-(4-tert-butyl-2-methylphenyl)ethyl]propanamide?
The InChIKey is YJNYPLMZAJGJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-10-14(16(3,4)5)7-6-13(11)8-9-18-15(19)12(2)17/h6-7,10,12H,8-9,17H2,1-5H3,(H,18,19).
What are the key properties of 2-amino-N-[2-(4-tert-butyl-2-methylphenyl)ethyl]propanamide?
2-amino-N-[2-(4-tert-butyl-2-methylphenyl)ethyl]propanamide has a molecular weight of 262.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-tert-butyl-2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 115152518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).