3-[ethyl(nitroso)amino]propanamide

C5H11N3O2 — CID 172967454

IUPAC3-[ethyl(nitroso)amino]propanamide
SMILESCCN(CCC(N)=O)N=O
InChIInChI=1S/C5H11N3O2/c1-2-8(7-10)4-3-5(6)9/h2-4H2,1H3,(H2,6,9)
InChIKeyZWDKZNJZCUGQLK-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.13
Rot. Bonds5

About 3-[ethyl(nitroso)amino]propanamide

3-[ethyl(nitroso)amino]propanamide (PubChem CID 172967454) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is 3-[ethyl(nitroso)amino]propanamide.

Molecular Properties

Compound Name3-[ethyl(nitroso)amino]propanamide
PubChem CID172967454
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Name3-[ethyl(nitroso)amino]propanamide
SMILESCCN(CCC(N)=O)N=O
InChIInChI=1S/C5H11N3O2/c1-2-8(7-10)4-3-5(6)9/h2-4H2,1H3,(H2,6,9)
InChIKeyZWDKZNJZCUGQLK-UHFFFAOYSA-N
XLogP-0.13
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-2-oxoethyl)-nitrosoamino]acetamide
CID 172967660
3-[bis[3-(diethylamino)propyl]amino]propanamide
CID 87989478
3-[ethyl(2-hydroxyethyl)amino]propanamide
CID 39248219
N-(2-hydroxyethyl)-N-(2-oxopropyl)nitrous amide
CID 3794522
1-ethyl-1-nitrosourea
CID 159023173
3-[(3-amino-3-oxopropyl)-methylamino]propanamide;bis(2-methylpropane)
CID 145273853
3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]propanamide
CID 60970889
butanamide
CID 141414886
4-[2-[ethyl(methyl)amino]ethyl-methylamino]butanamide
CID 156749996
3-(difluoroamino)propanamide
CID 22154880
2-[(3-amino-3-oxopropyl)-butan-2-ylamino]acetic acid
CID 60833263
4-[ethyl(pentyl)amino]butanamide
CID 57048694

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(nitroso)amino]propanamide?
The IUPAC name of 3-[ethyl(nitroso)amino]propanamide (CID 172967454) is 3-[ethyl(nitroso)amino]propanamide.
What is the SMILES notation for 3-[ethyl(nitroso)amino]propanamide?
The canonical SMILES for 3-[ethyl(nitroso)amino]propanamide is CCN(CCC(N)=O)N=O.
What is the InChIKey of 3-[ethyl(nitroso)amino]propanamide?
The InChIKey is ZWDKZNJZCUGQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2/c1-2-8(7-10)4-3-5(6)9/h2-4H2,1H3,(H2,6,9).
What are the key properties of 3-[ethyl(nitroso)amino]propanamide?
3-[ethyl(nitroso)amino]propanamide has a molecular weight of 145.16 g/mol, XLogP of -0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(nitroso)amino]propanamide is sourced from PubChem (CID 172967454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).