N-[2-(dimethylamino)ethyl]-4-(3-hydroxyprop-1-ynyl)benzamide

C14H18N2O2 — CID 60816514

IUPACN-[2-(dimethylamino)ethyl]-4-(3-hydroxyprop-1-ynyl)benzamide
SMILESCN(C)CCNC(=O)c1ccc(C#CCO)cc1
InChIInChI=1S/C14H18N2O2/c1-16(2)10-9-15-14(18)13-7-5-12(6-8-13)4-3-11-17/h5-8,17H,9-11H2,1-2H3,(H,15,18)
InChIKeyFDOXQHTZFOICOL-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.32
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-4-(3-hydroxyprop-1-ynyl)benzamide

N-[2-(dimethylamino)ethyl]-4-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 60816514) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID60816514
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(3-hydroxyprop-1-ynyl)benzamide
SMILESCN(C)CCNC(=O)c1ccc(C#CCO)cc1
InChIInChI=1S/C14H18N2O2/c1-16(2)10-9-15-14(18)13-7-5-12(6-8-13)4-3-11-17/h5-8,17H,9-11H2,1-2H3,(H,15,18)
InChIKeyFDOXQHTZFOICOL-UHFFFAOYSA-N
XLogP0.32
TPSA52.57 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 ≤ 50.32
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

4-(3-hydroxyprop-1-ynyl)-N-(3,3,3-trifluoropropyl)benzamide
CID 63227870
N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide
CID 107019569
4-(3-aminoprop-1-ynyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]benzamide
CID 62979614
4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide
CID 24701967
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-hydroxyprop-1-ynyl)benzamide
CID 62978206
N,N-dibutyl-4-(3-hydroxyprop-1-ynyl)benzamide
CID 60816084
4-(3-hydroxyprop-1-ynyl)benzoic acid
CID 5201737
N-[2-(dimethylamino)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 110764850
5-(3-hydroxyprop-1-ynyl)-2-methyl-N-propylbenzamide
CID 65310982
4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045756
5-(3-hydroxyprop-1-ynyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-carboxamide
CID 62849404
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641767

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(3-hydroxyprop-1-ynyl)benzamide (CID 60816514) is N-[2-(dimethylamino)ethyl]-4-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(3-hydroxyprop-1-ynyl)benzamide is CN(C)CCNC(=O)c1ccc(C#CCO)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is FDOXQHTZFOICOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16(2)10-9-15-14(18)13-7-5-12(6-8-13)4-3-11-17/h5-8,17H,9-11H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(3-hydroxyprop-1-ynyl)benzamide?
N-[2-(dimethylamino)ethyl]-4-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 246.31 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 60816514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).