2-(propylcarbamoylamino)ethyl acetate

C8H16N2O3 — CID 22895699

IUPAC2-(propylcarbamoylamino)ethyl acetate
SMILESCCCNC(=O)NCCOC(C)=O
InChIInChI=1S/C8H16N2O3/c1-3-4-9-8(12)10-5-6-13-7(2)11/h3-6H2,1-2H3,(H2,9,10,12)
InChIKeyBEVGTDRQZRZMKM-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.26
Rot. Bonds5

About 2-(propylcarbamoylamino)ethyl acetate

2-(propylcarbamoylamino)ethyl acetate (PubChem CID 22895699) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(propylcarbamoylamino)ethyl acetate.

Molecular Properties

Compound Name2-(propylcarbamoylamino)ethyl acetate
PubChem CID22895699
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-(propylcarbamoylamino)ethyl acetate
SMILESCCCNC(=O)NCCOC(C)=O
InChIInChI=1S/C8H16N2O3/c1-3-4-9-8(12)10-5-6-13-7(2)11/h3-6H2,1-2H3,(H2,9,10,12)
InChIKeyBEVGTDRQZRZMKM-UHFFFAOYSA-N
XLogP0.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Butyl-carbamic acid 2-(3-methyl-ureido)-ethyl ester
CID 650127
Ethyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}acetate
CID 251730
methyl (2S)-2-(3-ethoxypropylcarbamoylamino)propanoate
CID 5389733
Acetic acid, (3-methylureido)-, ethyl ester
CID 251728
Ethyl N'-isopropylureidoacetate
CID 541544
Ethyl 2-acetamido-2-(dimethylamino)acetate
CID 14860697
[1-[(2-Acetyloxy-3-methoxypropyl)carbamoylamino]-3-methoxypropan-2-yl] acetate
CID 162417920
Ethyl 2-(3,3,3-trifluoropropylcarbamoylamino)acetate
CID 60969883
Ethyl 2-(4,4,4-trifluorobutylcarbamoylamino)acetate
CID 79039924
Urea, N-acetoxypropyl-N'-propyl-
CID 537211
Methyl 2-(butylcarbamoylamino)propanoate
CID 3933071
Ethyl 2-[methyl(propan-2-ylcarbamoyl)amino]acetate
CID 10352819

Frequently Asked Questions

What is the IUPAC name of 2-(propylcarbamoylamino)ethyl acetate?
The IUPAC name of 2-(propylcarbamoylamino)ethyl acetate (CID 22895699) is 2-(propylcarbamoylamino)ethyl acetate.
What is the SMILES notation for 2-(propylcarbamoylamino)ethyl acetate?
The canonical SMILES for 2-(propylcarbamoylamino)ethyl acetate is CCCNC(=O)NCCOC(C)=O.
What is the InChIKey of 2-(propylcarbamoylamino)ethyl acetate?
The InChIKey is BEVGTDRQZRZMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-3-4-9-8(12)10-5-6-13-7(2)11/h3-6H2,1-2H3,(H2,9,10,12).
What are the key properties of 2-(propylcarbamoylamino)ethyl acetate?
2-(propylcarbamoylamino)ethyl acetate has a molecular weight of 188.23 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylcarbamoylamino)ethyl acetate is sourced from PubChem (CID 22895699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).