2-[[2-hydroxyethyl(prop-2-enyl)amino]-nitrosoamino]acetamide

C7H14N4O3 — CID 54357816

IUPAC2-[[2-hydroxyethyl(prop-2-enyl)amino]-nitrosoamino]acetamide
SMILESC=CCN(CCO)N(CC(N)=O)N=O
InChIInChI=1S/C7H14N4O3/c1-2-3-10(4-5-12)11(9-14)6-7(8)13/h2,12H,1,3-6H2,(H2,8,13)
InChIKeyUKJBKIYVZZRYCB-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.15
Rot. Bonds8

About 2-[[2-hydroxyethyl(prop-2-enyl)amino]-nitrosoamino]acetamide

2-[[2-hydroxyethyl(prop-2-enyl)amino]-nitrosoamino]acetamide (PubChem CID 54357816) has the molecular formula C7H14N4O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-[[2-hydroxyethyl(prop-2-enyl)amino]-nitrosoamino]acetamide.

Molecular Properties

Compound Name2-[[2-hydroxyethyl(prop-2-enyl)amino]-nitrosoamino]acetamide
PubChem CID54357816
Molecular FormulaC7H14N4O3
Molecular Weight202.21 g/mol
Exact Mass202.11
IUPAC Name2-[[2-hydroxyethyl(prop-2-enyl)amino]-nitrosoamino]acetamide
SMILESC=CCN(CCO)N(CC(N)=O)N=O
InChIInChI=1S/C7H14N4O3/c1-2-3-10(4-5-12)11(9-14)6-7(8)13/h2,12H,1,3-6H2,(H2,8,13)
InChIKeyUKJBKIYVZZRYCB-UHFFFAOYSA-N
XLogP-1.15
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[methyl(prop-2-enyl)amino]acetamide
CID 55207696
2-[bis(2-hydroxyethyl)amino]acetamide;dihydrochloride
CID 18671967
2-[(2-amino-2-oxoethyl)-nitrosoamino]acetamide
CID 172967660
2-[2-hydroxyethyl(phosphanyl)amino]acetamide
CID 143796096
N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 84572947
2-[bis(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79285413
1-ethenyl-1-(2-hydroxyethyl)urea
CID 57006920
(2S)-2-amino-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
CID 104869516
2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide
CID 90229971
N-(2-hydroxyethyl)-N-(2-oxopropyl)nitrous amide
CID 3794522
3-[bis(prop-2-enyl)amino]prop-2-enamide
CID 87667924
N-[2-[2-hydroxyethyl(prop-2-enyl)amino]ethyl]acetamide
CID 115633464

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxyethyl(prop-2-enyl)amino]-nitrosoamino]acetamide?
The IUPAC name of 2-[[2-hydroxyethyl(prop-2-enyl)amino]-nitrosoamino]acetamide (CID 54357816) is 2-[[2-hydroxyethyl(prop-2-enyl)amino]-nitrosoamino]acetamide.
What is the SMILES notation for 2-[[2-hydroxyethyl(prop-2-enyl)amino]-nitrosoamino]acetamide?
The canonical SMILES for 2-[[2-hydroxyethyl(prop-2-enyl)amino]-nitrosoamino]acetamide is C=CCN(CCO)N(CC(N)=O)N=O.
What is the InChIKey of 2-[[2-hydroxyethyl(prop-2-enyl)amino]-nitrosoamino]acetamide?
The InChIKey is UKJBKIYVZZRYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O3/c1-2-3-10(4-5-12)11(9-14)6-7(8)13/h2,12H,1,3-6H2,(H2,8,13).
What are the key properties of 2-[[2-hydroxyethyl(prop-2-enyl)amino]-nitrosoamino]acetamide?
2-[[2-hydroxyethyl(prop-2-enyl)amino]-nitrosoamino]acetamide has a molecular weight of 202.21 g/mol, XLogP of -1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxyethyl(prop-2-enyl)amino]-nitrosoamino]acetamide is sourced from PubChem (CID 54357816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).