5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-(2-methylbutyl)benzamide

C17H24N2O — CID 65311356

IUPAC5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-(2-methylbutyl)benzamide
SMILESCCC(C)CN(C)C(=O)c1cc(C#CCN)ccc1C
InChIInChI=1S/C17H24N2O/c1-5-13(2)12-19(4)17(20)16-11-15(7-6-10-18)9-8-14(16)3/h8-9,11,13H,5,10,12,18H2,1-4H3
InChIKeyRLGYKVMKAUPDDU-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.42
Rot. Bonds4

About 5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-(2-methylbutyl)benzamide

5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-(2-methylbutyl)benzamide (PubChem CID 65311356) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-(2-methylbutyl)benzamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-(2-methylbutyl)benzamide
PubChem CID65311356
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-(2-methylbutyl)benzamide
SMILESCCC(C)CN(C)C(=O)c1cc(C#CCN)ccc1C
InChIInChI=1S/C17H24N2O/c1-5-13(2)12-19(4)17(20)16-11-15(7-6-10-18)9-8-14(16)3/h8-9,11,13H,5,10,12,18H2,1-4H3
InChIKeyRLGYKVMKAUPDDU-UHFFFAOYSA-N
XLogP2.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-ethyl-2-methyl-N-(2-methylbutyl)benzamide
CID 79482914
5-(3-aminoprop-1-ynyl)-N-(2-cyanopropyl)-N-ethyl-2-methylbenzamide
CID 65310437
5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylbutyl)pyridine-2-carboxamide
CID 62958692
5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(2-methylbutyl)thiophene-2-carboxamide
CID 79989544
5-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylbenzamide
CID 65310599
5-(3-aminoprop-1-ynyl)-N-cyclopropyl-2-methyl-N-propylbenzamide
CID 65310176
5-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-2-yl)-2-methylbenzamide
CID 65310546
5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-pyridin-3-ylbenzamide
CID 65309932
5-(3-aminoprop-1-ynyl)-2-methyl-N-propylbenzamide
CID 65310729
4-(3-aminoprop-1-ynyl)-N-ethyl-2-fluoro-N-methylbenzamide
CID 60821854
5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)-N,2-dimethylbenzamide
CID 65311429
5-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 102868159

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-(2-methylbutyl)benzamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-(2-methylbutyl)benzamide (CID 65311356) is 5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-(2-methylbutyl)benzamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-(2-methylbutyl)benzamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-(2-methylbutyl)benzamide is CCC(C)CN(C)C(=O)c1cc(C#CCN)ccc1C.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-(2-methylbutyl)benzamide?
The InChIKey is RLGYKVMKAUPDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-5-13(2)12-19(4)17(20)16-11-15(7-6-10-18)9-8-14(16)3/h8-9,11,13H,5,10,12,18H2,1-4H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-(2-methylbutyl)benzamide?
5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-(2-methylbutyl)benzamide has a molecular weight of 272.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-(2-methylbutyl)benzamide is sourced from PubChem (CID 65311356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).