2-anilino-N-prop-2-ynylpropanamide

C12H14N2O — CID 43112793

IUPAC2-anilino-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Nc1ccccc1
InChIInChI=1S/C12H14N2O/c1-3-9-13-12(15)10(2)14-11-7-5-4-6-8-11/h1,4-8,10,14H,9H2,2H3,(H,13,15)
InChIKeyGIGRHVRYGCSUOR-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.24
Rot. Bonds4

About 2-anilino-N-prop-2-ynylpropanamide

2-anilino-N-prop-2-ynylpropanamide (PubChem CID 43112793) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-anilino-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-anilino-N-prop-2-ynylpropanamide
PubChem CID43112793
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-anilino-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Nc1ccccc1
InChIInChI=1S/C12H14N2O/c1-3-9-13-12(15)10(2)14-11-7-5-4-6-8-11/h1,4-8,10,14H,9H2,2H3,(H,13,15)
InChIKeyGIGRHVRYGCSUOR-UHFFFAOYSA-N
XLogP1.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-phenylanilino)-N-prop-2-ynylpropanamide
CID 60720749
4-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]benzamide
CID 43112981
(2R)-2-(4-ethylanilino)-N-prop-2-ynylpropanamide
CID 28884943
2-(naphthalen-2-ylamino)-N-prop-2-ynylpropanamide
CID 43420257
2-anilino-N-(cyanomethyl)propanamide
CID 23467229
2-(2-chloroanilino)-N-prop-2-ynylpropanamide
CID 43113364
N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]propanamide
CID 43112941
2-(4-fluoro-3-methylanilino)-N-prop-2-ynylpropanamide
CID 55118922
2-[(6-methoxy-3-pyridinyl)amino]-N-prop-2-ynylpropanamide
CID 43114033
2-[2-(difluoromethylsulfanyl)anilino]-N-prop-2-ynylpropanamide
CID 43116631
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-N-prop-2-ynylpropanamide
CID 47157501
2-phenyl-N-prop-2-ynylpropanamide
CID 104916558

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-prop-2-ynylpropanamide?
The IUPAC name of 2-anilino-N-prop-2-ynylpropanamide (CID 43112793) is 2-anilino-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-anilino-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-anilino-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Nc1ccccc1.
What is the InChIKey of 2-anilino-N-prop-2-ynylpropanamide?
The InChIKey is GIGRHVRYGCSUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-9-13-12(15)10(2)14-11-7-5-4-6-8-11/h1,4-8,10,14H,9H2,2H3,(H,13,15).
What are the key properties of 2-anilino-N-prop-2-ynylpropanamide?
2-anilino-N-prop-2-ynylpropanamide has a molecular weight of 202.26 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-prop-2-ynylpropanamide is sourced from PubChem (CID 43112793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).