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

C16H22N2O — CID 81292346

IUPACN-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylbutanamide
SMILESCCc1cc(C#CCN)ccc1NC(=O)C(C)CC
InChIInChI=1S/C16H22N2O/c1-4-12(3)16(19)18-15-9-8-13(7-6-10-17)11-14(15)5-2/h8-9,11-12H,4-5,10,17H2,1-3H3,(H,18,19)
InChIKeyWIZMOVSGMOBSTB-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.54
Rot. Bonds4

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

N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylbutanamide (PubChem CID 81292346) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylbutanamide
PubChem CID81292346
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylbutanamide
SMILESCCc1cc(C#CCN)ccc1NC(=O)C(C)CC
InChIInChI=1S/C16H22N2O/c1-4-12(3)16(19)18-15-9-8-13(7-6-10-17)11-14(15)5-2/h8-9,11-12H,4-5,10,17H2,1-3H3,(H,18,19)
InChIKeyWIZMOVSGMOBSTB-UHFFFAOYSA-N
XLogP2.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.54
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-methylpropanamide
CID 81292122
1-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-propylurea
CID 81287127
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]pentanamide
CID 81292452
N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-methylpentanamide
CID 60814231
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]-5-bromothiophene-3-carboxamide
CID 107964055
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-chlorofuran-3-carboxamide
CID 106688777
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylbutanamide
CID 60804230
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-(tetrazol-1-yl)acetamide
CID 81288536
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-4-methylthiadiazole-5-carboxamide
CID 81288310
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-methylbutanamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylbutanamide (CID 81292346) is N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylbutanamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylbutanamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylbutanamide is CCc1cc(C#CCN)ccc1NC(=O)C(C)CC.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylbutanamide?
The InChIKey is WIZMOVSGMOBSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-12(3)16(19)18-15-9-8-13(7-6-10-17)11-14(15)5-2/h8-9,11-12H,4-5,10,17H2,1-3H3,(H,18,19).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylbutanamide?
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylbutanamide has a molecular weight of 258.37 g/mol, XLogP of 2.54, 4 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-methylbutanamide is sourced from PubChem (CID 81292346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).