N-(2-aminoethyl)-N-(prop-1-en-2-ylcarbamoyl)acetamide

C8H15N3O2 — CID 108910384

IUPACN-(2-aminoethyl)-N-(prop-1-en-2-ylcarbamoyl)acetamide
SMILESC=C(C)NC(=O)N(CCN)C(C)=O
InChIInChI=1S/C8H15N3O2/c1-6(2)10-8(13)11(5-4-9)7(3)12/h1,4-5,9H2,2-3H3,(H,10,13)
InChIKeyPFHJOBUTGKHJKA-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.04
Rot. Bonds3

About N-(2-aminoethyl)-N-(prop-1-en-2-ylcarbamoyl)acetamide

N-(2-aminoethyl)-N-(prop-1-en-2-ylcarbamoyl)acetamide (PubChem CID 108910384) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(prop-1-en-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(prop-1-en-2-ylcarbamoyl)acetamide
PubChem CID108910384
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC NameN-(2-aminoethyl)-N-(prop-1-en-2-ylcarbamoyl)acetamide
SMILESC=C(C)NC(=O)N(CCN)C(C)=O
InChIInChI=1S/C8H15N3O2/c1-6(2)10-8(13)11(5-4-9)7(3)12/h1,4-5,9H2,2-3H3,(H,10,13)
InChIKeyPFHJOBUTGKHJKA-UHFFFAOYSA-N
XLogP0.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-N-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]acetamide
CID 33748612
6-Methyl-1,3-bis[2-(methylamino)ethyl]pyrimidine-2,4-dione
CID 21331395
6-(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione
CID 67923881
N-[2-[3-(2-acetamidoethyl)-2,4,6-trioxo-5-[2-(prop-1-en-2-ylamino)ethyl]-1,3,5-triazinan-1-yl]ethyl]acetamide
CID 89089037
6-(aminomethyl)-3-butan-2-yl-1H-pyrimidine-2,4-dione
CID 91066697
6-(aminomethyl)-3-ethyl-1H-pyrimidine-2,4-dione
CID 91207080
N-[2-aminopropyl(ethenyl)carbamoyl]acetamide
CID 123527300
N-[(dipropylamino)methyl]acetamide;N-ethylprop-1-en-2-amine
CID 143490321
N-ethylacetamide;N-prop-1-en-2-yl-N',N'-dipropylmethanediamine
CID 143490425
N-[1-(2,4-dioxoimidazolidin-1-yl)ethyl]-N-[2-(methylamino)prop-2-enyl]acetamide
CID 144812209
(2S)-2-(methylcarbamoylamino)-N-prop-1-en-2-ylpropanamide
CID 174002943
2-(3,6-Dimethyl-2,4-dioxopyrimidin-1-yl)ethyl-dimethylazanium
CID 6919501

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(prop-1-en-2-ylcarbamoyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-N-(prop-1-en-2-ylcarbamoyl)acetamide (CID 108910384) is N-(2-aminoethyl)-N-(prop-1-en-2-ylcarbamoyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(prop-1-en-2-ylcarbamoyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-N-(prop-1-en-2-ylcarbamoyl)acetamide is C=C(C)NC(=O)N(CCN)C(C)=O.
What is the InChIKey of N-(2-aminoethyl)-N-(prop-1-en-2-ylcarbamoyl)acetamide?
The InChIKey is PFHJOBUTGKHJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-6(2)10-8(13)11(5-4-9)7(3)12/h1,4-5,9H2,2-3H3,(H,10,13).
What are the key properties of N-(2-aminoethyl)-N-(prop-1-en-2-ylcarbamoyl)acetamide?
N-(2-aminoethyl)-N-(prop-1-en-2-ylcarbamoyl)acetamide has a molecular weight of 185.23 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(prop-1-en-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 108910384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).