N-methyl-2-(prop-2-ynylamino)propanamide

C7H12N2O — CID 43086395

IUPACN-methyl-2-(prop-2-ynylamino)propanamide
SMILESC#CCNC(C)C(=O)NC
InChIInChI=1S/C7H12N2O/c1-4-5-9-6(2)7(10)8-3/h1,6,9H,5H2,2-3H3,(H,8,10)
InChIKeyFPAPIOURPULPAE-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.66
Rot. Bonds3

About N-methyl-2-(prop-2-ynylamino)propanamide

N-methyl-2-(prop-2-ynylamino)propanamide (PubChem CID 43086395) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-methyl-2-(prop-2-ynylamino)propanamide.

Molecular Properties

Compound NameN-methyl-2-(prop-2-ynylamino)propanamide
PubChem CID43086395
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-methyl-2-(prop-2-ynylamino)propanamide
SMILESC#CCNC(C)C(=O)NC
InChIInChI=1S/C7H12N2O/c1-4-5-9-6(2)7(10)8-3/h1,6,9H,5H2,2-3H3,(H,8,10)
InChIKeyFPAPIOURPULPAE-UHFFFAOYSA-N
XLogP-0.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.66
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

N-ethyl-2-(prop-2-ynylamino)propanamide
CID 43086396
2-(2-aminoethylamino)-N-prop-2-ynylpropanamide
CID 62140900
3-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]propanoic acid
CID 43466719
2-(2-methylprop-2-enylamino)-N-prop-2-ynylpropanamide
CID 114616816
2-[[2-(carbamoylamino)-2-oxoethyl]amino]-N-methylpropanamide
CID 61464497
methyl 2-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate
CID 61464916
2-(2-ethylsulfonylethylamino)-N-methylpropanamide
CID 61464372
N-methyl-2-(2-methylsulfonylethylamino)propanamide
CID 60918919
2-[2-(2-hydroxyethoxy)ethylamino]-N-prop-2-ynylpropanamide
CID 60720256
N-methyl-2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]propanamide
CID 61489451
2-[(3-chloro-2-methylprop-2-enyl)amino]-N-methylpropanamide
CID 106437577
N-methyl-2-(2-sulfamoylethylamino)propanamide
CID 114384925

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(prop-2-ynylamino)propanamide?
The IUPAC name of N-methyl-2-(prop-2-ynylamino)propanamide (CID 43086395) is N-methyl-2-(prop-2-ynylamino)propanamide.
What is the SMILES notation for N-methyl-2-(prop-2-ynylamino)propanamide?
The canonical SMILES for N-methyl-2-(prop-2-ynylamino)propanamide is C#CCNC(C)C(=O)NC.
What is the InChIKey of N-methyl-2-(prop-2-ynylamino)propanamide?
The InChIKey is FPAPIOURPULPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4-5-9-6(2)7(10)8-3/h1,6,9H,5H2,2-3H3,(H,8,10).
What are the key properties of N-methyl-2-(prop-2-ynylamino)propanamide?
N-methyl-2-(prop-2-ynylamino)propanamide has a molecular weight of 140.19 g/mol, XLogP of -0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(prop-2-ynylamino)propanamide is sourced from PubChem (CID 43086395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).