N-(1-amino-2-methylpropan-2-yl)-3-(4-tert-butylphenyl)propanamide

C17H28N2O — CID 119522264

IUPACN-(1-amino-2-methylpropan-2-yl)-3-(4-tert-butylphenyl)propanamide
SMILESCC(C)(CN)NC(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-16(2,3)14-9-6-13(7-10-14)8-11-15(20)19-17(4,5)12-18/h6-7,9-10H,8,11-12,18H2,1-5H3,(H,19,20)
InChIKeyRNSLTTWHKAZHBY-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.77
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-3-(4-tert-butylphenyl)propanamide

N-(1-amino-2-methylpropan-2-yl)-3-(4-tert-butylphenyl)propanamide (PubChem CID 119522264) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-(4-tert-butylphenyl)propanamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-(4-tert-butylphenyl)propanamide
PubChem CID119522264
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-(4-tert-butylphenyl)propanamide
SMILESCC(C)(CN)NC(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-16(2,3)14-9-6-13(7-10-14)8-11-15(20)19-17(4,5)12-18/h6-7,9-10H,8,11-12,18H2,1-5H3,(H,19,20)
InChIKeyRNSLTTWHKAZHBY-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide
CID 119523960
N-(1-amino-2-methylpropan-2-yl)-5-(4-methylphenyl)pentanamide
CID 119522094
N-(1-amino-2-methylpropan-2-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 82354510
N-(1-amino-2-methylpropan-2-yl)-3-(4-chloro-3-fluorophenyl)propanamide
CID 110833364
N-(1-amino-2-methylpropan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119523391
N-(1-amino-2-methylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 119522297
3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119500998
N-(1-amino-2-methylpropan-2-yl)-3-(furan-2-yl)propanamide
CID 63193685
6-(4-tert-butylphenyl)hexane-2,4-dione
CID 91111735
N-(1-amino-2-methylpropan-2-yl)-3-(2,5-difluorophenyl)propanamide
CID 119524062
N-(1-amino-2-methylpropan-2-yl)-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride
CID 119522559
3-(4-tert-butylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 9301786

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(4-tert-butylphenyl)propanamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(4-tert-butylphenyl)propanamide (CID 119522264) is N-(1-amino-2-methylpropan-2-yl)-3-(4-tert-butylphenyl)propanamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-(4-tert-butylphenyl)propanamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-(4-tert-butylphenyl)propanamide is CC(C)(CN)NC(=O)CCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-(4-tert-butylphenyl)propanamide?
The InChIKey is RNSLTTWHKAZHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-16(2,3)14-9-6-13(7-10-14)8-11-15(20)19-17(4,5)12-18/h6-7,9-10H,8,11-12,18H2,1-5H3,(H,19,20).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-(4-tert-butylphenyl)propanamide?
N-(1-amino-2-methylpropan-2-yl)-3-(4-tert-butylphenyl)propanamide has a molecular weight of 276.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-(4-tert-butylphenyl)propanamide is sourced from PubChem (CID 119522264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).