N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)propanamide

C16H26N2O — CID 115271070

IUPACN-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)propanamide
SMILESCCc1ccc(CCC(=O)NCC(C)(C)CN)cc1
InChIInChI=1S/C16H26N2O/c1-4-13-5-7-14(8-6-13)9-10-15(19)18-12-16(2,3)11-17/h5-8H,4,9-12,17H2,1-3H3,(H,18,19)
InChIKeyYAJNRVVAIVNFNS-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.28
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)propanamide

N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)propanamide (PubChem CID 115271070) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)propanamide
PubChem CID115271070
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)propanamide
SMILESCCc1ccc(CCC(=O)NCC(C)(C)CN)cc1
InChIInChI=1S/C16H26N2O/c1-4-13-5-7-14(8-6-13)9-10-15(19)18-12-16(2,3)11-17/h5-8H,4,9-12,17H2,1-3H3,(H,18,19)
InChIKeyYAJNRVVAIVNFNS-UHFFFAOYSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103772275
4-[3-(4-ethylphenyl)propanoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002697
3-(4-aminophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 115357817
N-(3-chloro-2,2-dimethylpropyl)-3-(4-methylphenyl)propanamide
CID 115364619
N-(3-chloro-2,2-dimethylpropyl)-3-phenylpropanamide
CID 115364651
N'-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200137
methyl 3-[3-(4-ethylphenyl)propanoylamino]-2-hydroxypropanoate
CID 103879309
N-(4-bromo-2,2-dimethylbutyl)-3-(4-methylphenyl)propanamide
CID 114149427
N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)-N-methylpropanamide;hydrochloride
CID 119654388
N-(2,2-dimethylpropyl)-3-phenylpropanamide
CID 100801997
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94866860
3-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylpropanamide
CID 115056245

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)propanamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)propanamide (CID 115271070) is N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)propanamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)propanamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)propanamide is CCc1ccc(CCC(=O)NCC(C)(C)CN)cc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)propanamide?
The InChIKey is YAJNRVVAIVNFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-13-5-7-14(8-6-13)9-10-15(19)18-12-16(2,3)11-17/h5-8H,4,9-12,17H2,1-3H3,(H,18,19).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)propanamide?
N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)propanamide has a molecular weight of 262.40 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)propanamide is sourced from PubChem (CID 115271070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).