N-(2-acetamidoethyl)-2-(prop-2-ynylamino)acetamide

C9H15N3O2 — CID 112722327

IUPACN-(2-acetamidoethyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCCNC(C)=O
InChIInChI=1S/C9H15N3O2/c1-3-4-10-7-9(14)12-6-5-11-8(2)13/h1,10H,4-7H2,2H3,(H,11,13)(H,12,14)
InChIKeyIQZAWSMMTMPPCS-UHFFFAOYSA-N
MW197.24 g/mol
LogP-1.54
Rot. Bonds6

About N-(2-acetamidoethyl)-2-(prop-2-ynylamino)acetamide

N-(2-acetamidoethyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 112722327) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-(prop-2-ynylamino)acetamide
PubChem CID112722327
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-(2-acetamidoethyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCCNC(C)=O
InChIInChI=1S/C9H15N3O2/c1-3-4-10-7-9(14)12-6-5-11-8(2)13/h1,10H,4-7H2,2H3,(H,11,13)(H,12,14)
InChIKeyIQZAWSMMTMPPCS-UHFFFAOYSA-N
XLogP-1.54
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-(prop-2-ynylamino)acetamide (CID 112722327) is N-(2-acetamidoethyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)NCCNC(C)=O.
What is the InChIKey of N-(2-acetamidoethyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is IQZAWSMMTMPPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-4-10-7-9(14)12-6-5-11-8(2)13/h1,10H,4-7H2,2H3,(H,11,13)(H,12,14).
What are the key properties of N-(2-acetamidoethyl)-2-(prop-2-ynylamino)acetamide?
N-(2-acetamidoethyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 197.24 g/mol, XLogP of -1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 112722327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).