propyl N-(1-carbamoyloxyethyl)carbamate

C7H14N2O4 — CID 57248624

IUPACpropyl N-(1-carbamoyloxyethyl)carbamate
SMILESCCCOC(=O)NC(C)OC(N)=O
InChIInChI=1S/C7H14N2O4/c1-3-4-12-7(11)9-5(2)13-6(8)10/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11)
InChIKeyIKDCORBELRRDRQ-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.56
Rot. Bonds4

About propyl N-(1-carbamoyloxyethyl)carbamate

propyl N-(1-carbamoyloxyethyl)carbamate (PubChem CID 57248624) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is propyl N-(1-carbamoyloxyethyl)carbamate.

Molecular Properties

Compound Namepropyl N-(1-carbamoyloxyethyl)carbamate
PubChem CID57248624
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Namepropyl N-(1-carbamoyloxyethyl)carbamate
SMILESCCCOC(=O)NC(C)OC(N)=O
InChIInChI=1S/C7H14N2O4/c1-3-4-12-7(11)9-5(2)13-6(8)10/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11)
InChIKeyIKDCORBELRRDRQ-UHFFFAOYSA-N
XLogP0.56
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

propyl N-(dihydroxymethyl)carbamate
CID 174469306
propyl 3-methyl-2-(propoxycarbonylamino)butanoate
CID 6424364
propyl N-[(1R)-2,2,2-trichloro-1-[(1R)-2,2,2-trichloro-1-(propoxycarbonylamino)ethoxy]ethyl]carbamate
CID 92840466
ethyl 3-methyl-2-(propoxycarbonylamino)pentanoate
CID 6424721
propyl N-(2-methylpropyl)carbamate
CID 91192078
tetradecyl 2-(propoxycarbonylamino)propanoate
CID 6422780
2-(propoxycarbonylamino)butanedioic acid
CID 142164460
propyl 3,3-dimethyl-2-(propoxycarbonylamino)butanoate
CID 91702788
3-amino-2-(propoxycarbonylamino)propanoic acid
CID 54022488
(2R)-3-hydroxy-2-(propoxycarbonylamino)propanoic acid
CID 88909691
butyl N-(1-aminoethyl)carbamate
CID 87930052
propyl carbamate;dihydrochloride
CID 87576214

Frequently Asked Questions

What is the IUPAC name of propyl N-(1-carbamoyloxyethyl)carbamate?
The IUPAC name of propyl N-(1-carbamoyloxyethyl)carbamate (CID 57248624) is propyl N-(1-carbamoyloxyethyl)carbamate.
What is the SMILES notation for propyl N-(1-carbamoyloxyethyl)carbamate?
The canonical SMILES for propyl N-(1-carbamoyloxyethyl)carbamate is CCCOC(=O)NC(C)OC(N)=O.
What is the InChIKey of propyl N-(1-carbamoyloxyethyl)carbamate?
The InChIKey is IKDCORBELRRDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-3-4-12-7(11)9-5(2)13-6(8)10/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11).
What are the key properties of propyl N-(1-carbamoyloxyethyl)carbamate?
propyl N-(1-carbamoyloxyethyl)carbamate has a molecular weight of 190.20 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(1-carbamoyloxyethyl)carbamate is sourced from PubChem (CID 57248624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).