methyl N-[2-(propanoylamino)ethyl]carbamate

C7H14N2O3 — CID 108574125

IUPACmethyl N-[2-(propanoylamino)ethyl]carbamate
SMILESCCC(=O)NCCNC(=O)OC
InChIInChI=1S/C7H14N2O3/c1-3-6(10)8-4-5-9-7(11)12-2/h3-5H2,1-2H3,(H,8,10)(H,9,11)
InChIKeyRFYSVIRHYFPMRG-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.13
Rot. Bonds4

About methyl N-[2-(propanoylamino)ethyl]carbamate

methyl N-[2-(propanoylamino)ethyl]carbamate (PubChem CID 108574125) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is methyl N-[2-(propanoylamino)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(propanoylamino)ethyl]carbamate
PubChem CID108574125
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Namemethyl N-[2-(propanoylamino)ethyl]carbamate
SMILESCCC(=O)NCCNC(=O)OC
InChIInChI=1S/C7H14N2O3/c1-3-6(10)8-4-5-9-7(11)12-2/h3-5H2,1-2H3,(H,8,10)(H,9,11)
InChIKeyRFYSVIRHYFPMRG-UHFFFAOYSA-N
XLogP-0.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.13
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

ethane;N-[2-[(2-methoxyacetyl)amino]ethyl]propanamide
CID 156794805
methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
N-[2-(carbamoylamino)ethyl]propanamide
CID 78993883
methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968
methyl N-(2-aminoethyl)carbamate;propane
CID 160898455
methyl N-[2-(pent-4-ynoylamino)ethyl]carbamate
CID 123603019
ethane;N-(2-methoxyethyl)propanamide;molecular hydrogen
CID 145484894
methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate
CID 115590026
methyl N-(2-fluoroethyl)carbamate
CID 14512865
N-(2-phosphanylethyl)propanamide
CID 146644677
N-[11-[(2-methoxyacetyl)amino]undecyl]propanamide
CID 155455429
methyl N-nonylcarbamate
CID 5102101

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(propanoylamino)ethyl]carbamate?
The IUPAC name of methyl N-[2-(propanoylamino)ethyl]carbamate (CID 108574125) is methyl N-[2-(propanoylamino)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(propanoylamino)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(propanoylamino)ethyl]carbamate is CCC(=O)NCCNC(=O)OC.
What is the InChIKey of methyl N-[2-(propanoylamino)ethyl]carbamate?
The InChIKey is RFYSVIRHYFPMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-3-6(10)8-4-5-9-7(11)12-2/h3-5H2,1-2H3,(H,8,10)(H,9,11).
What are the key properties of methyl N-[2-(propanoylamino)ethyl]carbamate?
methyl N-[2-(propanoylamino)ethyl]carbamate has a molecular weight of 174.20 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(propanoylamino)ethyl]carbamate is sourced from PubChem (CID 108574125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).