2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl carbamate

C8H17N3O3 — CID 83210549

IUPAC2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl carbamate
SMILESCCNC(=O)C(C)NCCOC(N)=O
InChIInChI=1S/C8H17N3O3/c1-3-10-7(12)6(2)11-4-5-14-8(9)13/h6,11H,3-5H2,1-2H3,(H2,9,13)(H,10,12)
InChIKeyXZDOPOYQJKGRQB-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.80
Rot. Bonds6

About 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl carbamate

2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl carbamate (PubChem CID 83210549) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl carbamate
PubChem CID83210549
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl carbamate
SMILESCCNC(=O)C(C)NCCOC(N)=O
InChIInChI=1S/C8H17N3O3/c1-3-10-7(12)6(2)11-4-5-14-8(9)13/h6,11H,3-5H2,1-2H3,(H2,9,13)(H,10,12)
InChIKeyXZDOPOYQJKGRQB-UHFFFAOYSA-N
XLogP-0.80
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-oxo-1-(pentylamino)propan-2-yl]amino]ethyl carbamate
CID 83210164
2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate
CID 83211096
2-(2-carbamoyloxyethylamino)propanoic acid
CID 83210628
2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]ethyl carbamate
CID 83211432
ethyl 2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethoxy]acetate
CID 103247488
2-(propan-2-ylamino)ethyl carbamate
CID 79338127
N-ethyl-2-(3-hydroxypropylamino)propanamide
CID 43392791
2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate
CID 83211892
2-(2-aminopropanoylamino)ethyl carbamate
CID 83209218
N-ethyl-2-(2-methylsulfanylethylamino)propanamide
CID 60672762
2-(2-sulfanylpropanoylamino)ethyl carbamate
CID 107034140
tert-butyl N-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl]carbamate
CID 112688735

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl carbamate?
The IUPAC name of 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl carbamate (CID 83210549) is 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl carbamate?
The canonical SMILES for 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl carbamate is CCNC(=O)C(C)NCCOC(N)=O.
What is the InChIKey of 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl carbamate?
The InChIKey is XZDOPOYQJKGRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-3-10-7(12)6(2)11-4-5-14-8(9)13/h6,11H,3-5H2,1-2H3,(H2,9,13)(H,10,12).
What are the key properties of 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl carbamate?
2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl carbamate has a molecular weight of 203.24 g/mol, XLogP of -0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl carbamate is sourced from PubChem (CID 83210549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).