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

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(2S)-2-amino-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
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Ethyl 4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate
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Tert-butyl N-[1-(methylcarbamoyl)ethyl]carbamate
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Tert-butyl N-[1-(ethylcarbamoyl)ethyl]carbamate
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tert-butyl N-[(1S)-1-(methylcarbamoyl)ethyl]carbamate
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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).