N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropanamide

C15H20N2O — CID 81292122

IUPACN-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropanamide
SMILESCCc1cc(C#CCN)ccc1NC(=O)C(C)C
InChIInChI=1S/C15H20N2O/c1-4-13-10-12(6-5-9-16)7-8-14(13)17-15(18)11(2)3/h7-8,10-11H,4,9,16H2,1-3H3,(H,17,18)
InChIKeyBKTXXKHEYBVHFC-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.15
Rot. Bonds3

About N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropanamide

N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropanamide (PubChem CID 81292122) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropanamide
PubChem CID81292122
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropanamide
SMILESCCc1cc(C#CCN)ccc1NC(=O)C(C)C
InChIInChI=1S/C15H20N2O/c1-4-13-10-12(6-5-9-16)7-8-14(13)17-15(18)11(2)3/h7-8,10-11H,4,9,16H2,1-3H3,(H,17,18)
InChIKeyBKTXXKHEYBVHFC-UHFFFAOYSA-N
XLogP2.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylbutanamide
CID 81292346
1-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-propylurea
CID 81287127
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]pentanamide
CID 81292452
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-methoxypropanamide
CID 81292865
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]furan-3-carboxamide
CID 81292862
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-(tetrazol-1-yl)acetamide
CID 81288536
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-5-bromothiophene-3-carboxamide
CID 107964055
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide
CID 81292394
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-chlorofuran-3-carboxamide
CID 106688777
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-4-methylthiadiazole-5-carboxamide
CID 81288310
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-methylimidazole-4-carboxamide
CID 103511844
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 81288540

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropanamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropanamide (CID 81292122) is N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropanamide is CCc1cc(C#CCN)ccc1NC(=O)C(C)C.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropanamide?
The InChIKey is BKTXXKHEYBVHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-13-10-12(6-5-9-16)7-8-14(13)17-15(18)11(2)3/h7-8,10-11H,4,9,16H2,1-3H3,(H,17,18).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropanamide?
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropanamide has a molecular weight of 244.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropanamide is sourced from PubChem (CID 81292122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).