4-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)benzamide

C14H18N2O2 — CID 60821559

IUPAC4-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1ccc(C#CCN)cc1
InChIInChI=1S/C14H18N2O2/c1-11(10-18-2)16-14(17)13-7-5-12(6-8-13)4-3-9-15/h5-8,11H,9-10,15H2,1-2H3,(H,16,17)
InChIKeyKGXFLPDVHGTNDA-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.76
Rot. Bonds4

About 4-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)benzamide

4-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)benzamide (PubChem CID 60821559) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name4-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)benzamide
PubChem CID60821559
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1ccc(C#CCN)cc1
InChIInChI=1S/C14H18N2O2/c1-11(10-18-2)16-14(17)13-7-5-12(6-8-13)4-3-9-15/h5-8,11H,9-10,15H2,1-2H3,(H,16,17)
InChIKeyKGXFLPDVHGTNDA-UHFFFAOYSA-N
XLogP0.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
4-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide
CID 63996773
3-(3-aminoprop-1-ynyl)-N-(4-methoxybutan-2-yl)benzamide
CID 64603488
4-(3-aminoprop-1-ynyl)-N-(1-cyclohexylethyl)benzamide
CID 62406547
4-(dimethylamino)-N-(1-methoxypropan-2-yl)benzamide
CID 2904147
2-(3-aminoprop-1-ynyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzamide
CID 54922265
4-(3-aminoprop-1-ynyl)-N-(3-methylbutyl)benzamide
CID 54922312
N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
CID 5390617
4-benzamido-N-(1-methoxypropan-2-yl)benzamide
CID 17153292
N-(1-methoxypropan-2-yl)-4-pyrrol-1-ylbenzamide
CID 18161077
3-(3-hydroxyprop-1-ynyl)-N-(1-methoxypropan-2-yl)-4-methylbenzamide
CID 81476031
4-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)benzamide
CID 65043007

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)benzamide?
The IUPAC name of 4-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)benzamide (CID 60821559) is 4-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 4-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)benzamide?
The canonical SMILES for 4-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)benzamide is COCC(C)NC(=O)c1ccc(C#CCN)cc1.
What is the InChIKey of 4-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)benzamide?
The InChIKey is KGXFLPDVHGTNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11(10-18-2)16-14(17)13-7-5-12(6-8-13)4-3-9-15/h5-8,11H,9-10,15H2,1-2H3,(H,16,17).
What are the key properties of 4-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)benzamide?
4-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)benzamide has a molecular weight of 246.31 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 60821559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).