methyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate

C7H14N2O3 — CID 115575411

IUPACmethyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate
SMILESCCNC(=O)C(C)NC(=O)OC
InChIInChI=1S/C7H14N2O3/c1-4-8-6(10)5(2)9-7(11)12-3/h5H,4H2,1-3H3,(H,8,10)(H,9,11)
InChIKeyVTNAMBRCPJIUEH-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.13
Rot. Bonds3

About methyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate

methyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 115575411) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is methyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate
PubChem CID115575411
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Namemethyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate
SMILESCCNC(=O)C(C)NC(=O)OC
InChIInChI=1S/C7H14N2O3/c1-4-8-6(10)5(2)9-7(11)12-3/h5H,4H2,1-3H3,(H,8,10)(H,9,11)
InChIKeyVTNAMBRCPJIUEH-UHFFFAOYSA-N
XLogP-0.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

methyl N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate
CID 116657710
N-ethyl-2-(propan-2-ylcarbamothioylamino)propanamide
CID 115573098
(2S,3S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 61154563
(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylbutanamide
CID 61154394
N-ethyl-2-[(N'-methylcarbamimidoyl)amino]propanamide
CID 62360115
tert-butyl N-[1-(butylamino)-1-oxopropan-2-yl]carbamate
CID 10824212
tert-butyl N-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl]carbamate
CID 112688735
methyl 3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoate
CID 79391217
methyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate
CID 115590943
tert-butyl N-[(2R)-1-oxo-1-[2-(2-propoxyethoxy)ethylamino]propan-2-yl]carbamate
CID 59067465
(2S)-2-(4,5-dimethoxy-2-methylanilino)-N-ethylpropanamide
CID 9044402
tert-butyl N-[(2R)-1-[2-(ethylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]carbamate
CID 59191155

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of methyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate (CID 115575411) is methyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate is CCNC(=O)C(C)NC(=O)OC.
What is the InChIKey of methyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is VTNAMBRCPJIUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-4-8-6(10)5(2)9-7(11)12-3/h5H,4H2,1-3H3,(H,8,10)(H,9,11).
What are the key properties of methyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate?
methyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 174.20 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 115575411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).