2-[2-(methylamino)ethyl]-N-pent-4-ynylbenzamide

C15H20N2O — CID 114160142

IUPAC2-[2-(methylamino)ethyl]-N-pent-4-ynylbenzamide
SMILESC#CCCCNC(=O)c1ccccc1CCNC
InChIInChI=1S/C15H20N2O/c1-3-4-7-11-17-15(18)14-9-6-5-8-13(14)10-12-16-2/h1,5-6,8-9,16H,4,7,10-12H2,2H3,(H,17,18)
InChIKeyYPBQUYVWYLTCMD-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.59
Rot. Bonds7

About 2-[2-(methylamino)ethyl]-N-pent-4-ynylbenzamide

2-[2-(methylamino)ethyl]-N-pent-4-ynylbenzamide (PubChem CID 114160142) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[2-(methylamino)ethyl]-N-pent-4-ynylbenzamide.

Molecular Properties

Compound Name2-[2-(methylamino)ethyl]-N-pent-4-ynylbenzamide
PubChem CID114160142
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-[2-(methylamino)ethyl]-N-pent-4-ynylbenzamide
SMILESC#CCCCNC(=O)c1ccccc1CCNC
InChIInChI=1S/C15H20N2O/c1-3-4-7-11-17-15(18)14-9-6-5-8-13(14)10-12-16-2/h1,5-6,8-9,16H,4,7,10-12H2,2H3,(H,17,18)
InChIKeyYPBQUYVWYLTCMD-UHFFFAOYSA-N
XLogP1.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-pent-4-ynylbenzamide
CID 103816602
N-(2-cyanoethyl)-2-[2-(methylamino)ethyl]benzamide
CID 113425664
2-[2-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)benzamide
CID 104547629
6-[[2-[2-(methylamino)ethyl]benzoyl]amino]hexanoic acid
CID 104547644
1-[2-[2-(methylamino)ethyl]phenyl]but-3-yn-1-one
CID 116613135
N-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide
CID 104547307
3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 71070439
2-iodo-N-pent-4-ynylbenzamide
CID 103709110
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
2-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 104547416
2-[2-(methylamino)ethyl]-N-(3-phenylmethoxypropyl)benzamide
CID 113425680
N-[2-(methanesulfonamido)ethyl]-2-[2-(methylamino)ethyl]benzamide
CID 104547460

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)ethyl]-N-pent-4-ynylbenzamide?
The IUPAC name of 2-[2-(methylamino)ethyl]-N-pent-4-ynylbenzamide (CID 114160142) is 2-[2-(methylamino)ethyl]-N-pent-4-ynylbenzamide.
What is the SMILES notation for 2-[2-(methylamino)ethyl]-N-pent-4-ynylbenzamide?
The canonical SMILES for 2-[2-(methylamino)ethyl]-N-pent-4-ynylbenzamide is C#CCCCNC(=O)c1ccccc1CCNC.
What is the InChIKey of 2-[2-(methylamino)ethyl]-N-pent-4-ynylbenzamide?
The InChIKey is YPBQUYVWYLTCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-4-7-11-17-15(18)14-9-6-5-8-13(14)10-12-16-2/h1,5-6,8-9,16H,4,7,10-12H2,2H3,(H,17,18).
What are the key properties of 2-[2-(methylamino)ethyl]-N-pent-4-ynylbenzamide?
2-[2-(methylamino)ethyl]-N-pent-4-ynylbenzamide has a molecular weight of 244.34 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)ethyl]-N-pent-4-ynylbenzamide is sourced from PubChem (CID 114160142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).