N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide

C11H17N3O2 — CID 78911139

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(C)CC(=O)NC1CC1
InChIInChI=1S/C11H17N3O2/c1-3-6-12-7-11(16)14(2)8-10(15)13-9-4-5-9/h1,9,12H,4-8H2,2H3,(H,13,15)
InChIKeySDGYRCCZKNOLLV-UHFFFAOYSA-N
MW223.28 g/mol
LogP-1.05
Rot. Bonds6

About N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide

N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide (PubChem CID 78911139) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
PubChem CID78911139
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(C)CC(=O)NC1CC1
InChIInChI=1S/C11H17N3O2/c1-3-6-12-7-11(16)14(2)8-10(15)13-9-4-5-9/h1,9,12H,4-8H2,2H3,(H,13,15)
InChIKeySDGYRCCZKNOLLV-UHFFFAOYSA-N
XLogP-1.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
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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Related Compounds

3-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]propanoic acid
CID 43466279
N-(4-hydroxycyclohexyl)-2-(prop-2-ynylamino)acetamide
CID 79286896
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 43579629
N-cyclopropyl-2-[methyl(prop-2-ynyl)amino]acetamide
CID 60670124
N-cyclopropyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanamide
CID 79401221
2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468758
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-prop-2-ynylamino]acetic acid
CID 79283180
2-[[2-[(2-amino-1-cyclopropylethyl)-methylamino]acetyl]-methylamino]-N-cyclopropylacetamide
CID 116653040
2-[[2-[bis(2-hydroxyethyl)amino]acetyl]-methylamino]-N-cyclopropylacetamide
CID 60686591
(2S)-2-amino-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylbutanamide
CID 82962535
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 79286861
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid
CID 55003311

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide (CID 78911139) is N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)N(C)CC(=O)NC1CC1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide?
The InChIKey is SDGYRCCZKNOLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-6-12-7-11(16)14(2)8-10(15)13-9-4-5-9/h1,9,12H,4-8H2,2H3,(H,13,15).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide has a molecular weight of 223.28 g/mol, XLogP of -1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 78911139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).