N-cyclopropyl-N-ethyl-2-(pent-1-yn-3-ylamino)acetamide

C12H20N2O — CID 106229203

IUPACN-cyclopropyl-N-ethyl-2-(pent-1-yn-3-ylamino)acetamide
SMILESC#CC(CC)NCC(=O)N(CC)C1CC1
InChIInChI=1S/C12H20N2O/c1-4-10(5-2)13-9-12(15)14(6-3)11-7-8-11/h1,10-11,13H,5-9H2,2-3H3
InChIKeyZTHQKHRQGXIEJF-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.00
Rot. Bonds6

About N-cyclopropyl-N-ethyl-2-(pent-1-yn-3-ylamino)acetamide

N-cyclopropyl-N-ethyl-2-(pent-1-yn-3-ylamino)acetamide (PubChem CID 106229203) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-(pent-1-yn-3-ylamino)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-(pent-1-yn-3-ylamino)acetamide
PubChem CID106229203
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-cyclopropyl-N-ethyl-2-(pent-1-yn-3-ylamino)acetamide
SMILESC#CC(CC)NCC(=O)N(CC)C1CC1
InChIInChI=1S/C12H20N2O/c1-4-10(5-2)13-9-12(15)14(6-3)11-7-8-11/h1,10-11,13H,5-9H2,2-3H3
InChIKeyZTHQKHRQGXIEJF-UHFFFAOYSA-N
XLogP1.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-ethyl-2-(3-methylbutan-2-ylamino)acetamide
CID 61488088
2-(butan-2-ylamino)-N-cyclohexyl-N-ethylacetamide
CID 60684282
N-cyclopropyl-2-[1-(dimethylamino)propan-2-ylamino]-N-ethylacetamide
CID 82938894
N-cyclopropyl-N-ethyl-2-(5-methylhexan-2-ylamino)acetamide
CID 63928127
2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468491
N-cyclohexyl-N-ethyl-2-(ethylamino)acetamide
CID 60686638
2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
CID 43465978
N-cyclopropyl-2-(cyclopropylmethylamino)-N-ethylacetamide
CID 60843358
2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-cyclopropylacetamide
CID 61040136
N-cyclopropyl-N-ethyl-2-(3-methylbutylamino)acetamide
CID 60975211
3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid
CID 62231745
N-cyclopropyl-N-ethyl-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide
CID 81347384

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-(pent-1-yn-3-ylamino)acetamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-(pent-1-yn-3-ylamino)acetamide (CID 106229203) is N-cyclopropyl-N-ethyl-2-(pent-1-yn-3-ylamino)acetamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-(pent-1-yn-3-ylamino)acetamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-(pent-1-yn-3-ylamino)acetamide is C#CC(CC)NCC(=O)N(CC)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-(pent-1-yn-3-ylamino)acetamide?
The InChIKey is ZTHQKHRQGXIEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-10(5-2)13-9-12(15)14(6-3)11-7-8-11/h1,10-11,13H,5-9H2,2-3H3.
What are the key properties of N-cyclopropyl-N-ethyl-2-(pent-1-yn-3-ylamino)acetamide?
N-cyclopropyl-N-ethyl-2-(pent-1-yn-3-ylamino)acetamide has a molecular weight of 208.31 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-(pent-1-yn-3-ylamino)acetamide is sourced from PubChem (CID 106229203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).