3-(prop-2-ynoxyamino)propanamide

C6H10N2O2 — CID 130621020

IUPAC3-(prop-2-ynoxyamino)propanamide
SMILESC#CCONCCC(N)=O
InChIInChI=1S/C6H10N2O2/c1-2-5-10-8-4-3-6(7)9/h1,8H,3-5H2,(H2,7,9)
InChIKeyBJZGEBONTBCASN-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.98
Rot. Bonds5

About 3-(prop-2-ynoxyamino)propanamide

3-(prop-2-ynoxyamino)propanamide (PubChem CID 130621020) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 3-(prop-2-ynoxyamino)propanamide.

Molecular Properties

Compound Name3-(prop-2-ynoxyamino)propanamide
PubChem CID130621020
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name3-(prop-2-ynoxyamino)propanamide
SMILESC#CCONCCC(N)=O
InChIInChI=1S/C6H10N2O2/c1-2-5-10-8-4-3-6(7)9/h1,8H,3-5H2,(H2,7,9)
InChIKeyBJZGEBONTBCASN-UHFFFAOYSA-N
XLogP-0.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(prop-2-ynylamino)propanamide
CID 43090029
7-prop-2-ynoxyheptanamide
CID 91308975
N-prop-2-ynoxypropan-1-amine
CID 130722223
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 138710366
cyclobutane;3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 145370897
3-(hex-5-ynylamino)propanamide
CID 106211456
2-cyano-N-prop-2-ynoxyacetamide
CID 130875106
prop-2-ynyl N-prop-2-ynoxycarbonylcarbamate
CID 13314992
4-oxohept-6-ynamide
CID 158101819
1,3-bis(prop-2-ynoxy)-2-(prop-2-ynoxymethyl)propan-2-amine;2-bromoacetamide
CID 87099156
2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl carbamate
CID 175090580
tetradec-13-ynamide
CID 19767571

Frequently Asked Questions

What is the IUPAC name of 3-(prop-2-ynoxyamino)propanamide?
The IUPAC name of 3-(prop-2-ynoxyamino)propanamide (CID 130621020) is 3-(prop-2-ynoxyamino)propanamide.
What is the SMILES notation for 3-(prop-2-ynoxyamino)propanamide?
The canonical SMILES for 3-(prop-2-ynoxyamino)propanamide is C#CCONCCC(N)=O.
What is the InChIKey of 3-(prop-2-ynoxyamino)propanamide?
The InChIKey is BJZGEBONTBCASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-2-5-10-8-4-3-6(7)9/h1,8H,3-5H2,(H2,7,9).
What are the key properties of 3-(prop-2-ynoxyamino)propanamide?
3-(prop-2-ynoxyamino)propanamide has a molecular weight of 142.16 g/mol, XLogP of -0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-ynoxyamino)propanamide is sourced from PubChem (CID 130621020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).