3-(propylcarbamoylamino)propyl acetate

C9H18N2O3 — CID 537211

IUPAC3-(propylcarbamoylamino)propyl acetate
SMILESCCCNC(=O)NCCCOC(C)=O
InChIInChI=1S/C9H18N2O3/c1-3-5-10-9(13)11-6-4-7-14-8(2)12/h3-7H2,1-2H3,(H2,10,11,13)
InChIKeyZFAZCTSRWRPKBR-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.65
Rot. Bonds6

About 3-(propylcarbamoylamino)propyl acetate

3-(propylcarbamoylamino)propyl acetate (PubChem CID 537211) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-(propylcarbamoylamino)propyl acetate.

Molecular Properties

Compound Name3-(propylcarbamoylamino)propyl acetate
PubChem CID537211
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-(propylcarbamoylamino)propyl acetate
SMILESCCCNC(=O)NCCCOC(C)=O
InChIInChI=1S/C9H18N2O3/c1-3-5-10-9(13)11-6-4-7-14-8(2)12/h3-7H2,1-2H3,(H2,10,11,13)
InChIKeyZFAZCTSRWRPKBR-UHFFFAOYSA-N
XLogP0.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.65
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

beta-Alanine, N-carbamoyl-, methyl ester
CID 60703115
1-(3-Methoxypropyl)-3,3-dimethylurea
CID 45088657
Tert-butyl 3-(3-methoxypropylcarbamoylamino)propanoate
CID 56807054
Ethyl 3-(carbamoylamino)propanoate
CID 3613685
[1-[(2-Acetyloxy-3-methoxypropyl)carbamoylamino]-3-methoxypropan-2-yl] acetate
CID 162417920
Ethyl 3-(2,2,2-trifluoroethylcarbamoylamino)propanoate
CID 115595049
3-[3-(Carbamoylamino)propoxy]propylurea
CID 11020357
1,3-Bis(3-propan-2-yloxypropyl)urea
CID 12165706
N-[(Butylamino)carbonyl]glycine, ethyl ester
CID 14885219
Butyl 3-(butylaminomethylamino)propanoate
CID 18739971
Propyl 3-(butylaminomethylamino)propanoate
CID 18739981
Propyl 3-(ethylaminomethylamino)propanoate
CID 18739983

Frequently Asked Questions

What is the IUPAC name of 3-(propylcarbamoylamino)propyl acetate?
The IUPAC name of 3-(propylcarbamoylamino)propyl acetate (CID 537211) is 3-(propylcarbamoylamino)propyl acetate.
What is the SMILES notation for 3-(propylcarbamoylamino)propyl acetate?
The canonical SMILES for 3-(propylcarbamoylamino)propyl acetate is CCCNC(=O)NCCCOC(C)=O.
What is the InChIKey of 3-(propylcarbamoylamino)propyl acetate?
The InChIKey is ZFAZCTSRWRPKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-3-5-10-9(13)11-6-4-7-14-8(2)12/h3-7H2,1-2H3,(H2,10,11,13).
What are the key properties of 3-(propylcarbamoylamino)propyl acetate?
3-(propylcarbamoylamino)propyl acetate has a molecular weight of 202.25 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylcarbamoylamino)propyl acetate is sourced from PubChem (CID 537211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).