methyl N-[1-[ethyl(propyl)amino]-1-oxopropan-2-yl]carbamate

C10H20N2O3 — CID 123892539

IUPACmethyl N-[1-[ethyl(propyl)amino]-1-oxopropan-2-yl]carbamate
SMILESCCCN(CC)C(=O)C(C)NC(=O)OC
InChIInChI=1S/C10H20N2O3/c1-5-7-12(6-2)9(13)8(3)11-10(14)15-4/h8H,5-7H2,1-4H3,(H,11,14)
InChIKeyJASWLTVHPJKSNS-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.99
Rot. Bonds5

About methyl N-[1-[ethyl(propyl)amino]-1-oxopropan-2-yl]carbamate

methyl N-[1-[ethyl(propyl)amino]-1-oxopropan-2-yl]carbamate (PubChem CID 123892539) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl N-[1-[ethyl(propyl)amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[ethyl(propyl)amino]-1-oxopropan-2-yl]carbamate
PubChem CID123892539
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl N-[1-[ethyl(propyl)amino]-1-oxopropan-2-yl]carbamate
SMILESCCCN(CC)C(=O)C(C)NC(=O)OC
InChIInChI=1S/C10H20N2O3/c1-5-7-12(6-2)9(13)8(3)11-10(14)15-4/h8H,5-7H2,1-4H3,(H,11,14)
InChIKeyJASWLTVHPJKSNS-UHFFFAOYSA-N
XLogP0.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate
CID 115590943
N,N-diethyl-2-(2-methoxypropanoylamino)propanamide
CID 115588502
methyl N-[1-(dimethylamino)-1-oxopropan-2-yl]carbamate
CID 13269666
2-acetamido-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 60670670
ethyl 2-[2-(carbamoylamino)propanoyl-propylamino]acetate
CID 54898521
2-(carbamoylamino)-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 60958324
N,N-diethyl-2-(methoxyamino)propanamide
CID 60721258
methyl 2-(dipropylcarbamoylamino)propanoate
CID 3752223
N-ethyl-3-methyl-N-propyl-2-sulfanylbutanamide
CID 107022405
(2R)-N,N-diethyl-2-[[(2R)-1-methoxypropan-2-yl]carbamoylamino]propanamide
CID 95346439
ethyl 2-[2-acetamidopropanoyl(ethyl)amino]acetate
CID 54900981
tert-butyl N-[1-(dipropylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 43184928

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[ethyl(propyl)amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of methyl N-[1-[ethyl(propyl)amino]-1-oxopropan-2-yl]carbamate (CID 123892539) is methyl N-[1-[ethyl(propyl)amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-[ethyl(propyl)amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-[ethyl(propyl)amino]-1-oxopropan-2-yl]carbamate is CCCN(CC)C(=O)C(C)NC(=O)OC.
What is the InChIKey of methyl N-[1-[ethyl(propyl)amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is JASWLTVHPJKSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-5-7-12(6-2)9(13)8(3)11-10(14)15-4/h8H,5-7H2,1-4H3,(H,11,14).
What are the key properties of methyl N-[1-[ethyl(propyl)amino]-1-oxopropan-2-yl]carbamate?
methyl N-[1-[ethyl(propyl)amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 216.28 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[ethyl(propyl)amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 123892539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).