N,N-bis(prop-2-ynyl)benzamide

C13H11NO — CID 11790147

IUPACN,N-bis(prop-2-ynyl)benzamide
SMILESC#CCN(CC#C)C(=O)c1ccccc1
InChIInChI=1S/C13H11NO/c1-3-10-14(11-4-2)13(15)12-8-6-5-7-9-12/h1-2,5-9H,10-11H2
InChIKeyFTABCUBEXYEQGD-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.40
Rot. Bonds3

About N,N-bis(prop-2-ynyl)benzamide

N,N-bis(prop-2-ynyl)benzamide (PubChem CID 11790147) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is N,N-bis(prop-2-ynyl)benzamide.

Molecular Properties

Compound NameN,N-bis(prop-2-ynyl)benzamide
PubChem CID11790147
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC NameN,N-bis(prop-2-ynyl)benzamide
SMILESC#CCN(CC#C)C(=O)c1ccccc1
InChIInChI=1S/C13H11NO/c1-3-10-14(11-4-2)13(15)12-8-6-5-7-9-12/h1-2,5-9H,10-11H2
InChIKeyFTABCUBEXYEQGD-UHFFFAOYSA-N
XLogP1.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N,N-bis(prop-2-ynyl)benzamide
CID 117063834
2-[[4-(aminomethyl)benzoyl]-prop-2-ynylamino]acetic acid
CID 79273984
N-prop-2-enyl-4-[4-[prop-2-enyl(prop-2-ynyl)carbamoyl]phenyl]-N-prop-2-ynylbenzamide
CID 66573946
N-[2-oxo-2-[propyl(prop-2-ynyl)amino]ethyl]benzamide
CID 78992297
N,N-bis(prop-2-ynyl)-3,5-bis(sulfanylmethyl)benzamide
CID 164718481
N-but-3-ynyl-N-methylbenzamide
CID 10773933
N-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-2-oxoethyl]benzamide
CID 115549862
CID 174412487
CID 174412487
2-[(2-amino-2-phenylacetyl)-prop-2-ynylamino]acetic acid
CID 79273974
4-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylbenzamide
CID 115532633
2-[(4-propoxybenzoyl)-prop-2-ynylamino]acetic acid
CID 79279952
2-[(3,5-dibromobenzoyl)-prop-2-ynylamino]acetic acid
CID 107971562

Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-ynyl)benzamide?
The IUPAC name of N,N-bis(prop-2-ynyl)benzamide (CID 11790147) is N,N-bis(prop-2-ynyl)benzamide.
What is the SMILES notation for N,N-bis(prop-2-ynyl)benzamide?
The canonical SMILES for N,N-bis(prop-2-ynyl)benzamide is C#CCN(CC#C)C(=O)c1ccccc1.
What is the InChIKey of N,N-bis(prop-2-ynyl)benzamide?
The InChIKey is FTABCUBEXYEQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c1-3-10-14(11-4-2)13(15)12-8-6-5-7-9-12/h1-2,5-9H,10-11H2.
What are the key properties of N,N-bis(prop-2-ynyl)benzamide?
N,N-bis(prop-2-ynyl)benzamide has a molecular weight of 197.24 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-ynyl)benzamide is sourced from PubChem (CID 11790147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).