ethyl N-(2-methyl-4-oxohexan-3-yl)carbamate

C10H19NO3 — CID 90967587

IUPACethyl N-(2-methyl-4-oxohexan-3-yl)carbamate
SMILESCCOC(=O)NC(C(=O)CC)C(C)C
InChIInChI=1S/C10H19NO3/c1-5-8(12)9(7(3)4)11-10(13)14-6-2/h7,9H,5-6H2,1-4H3,(H,11,13)
InChIKeyVPOUHCXZMJWNCJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.74
Rot. Bonds5

About ethyl N-(2-methyl-4-oxohexan-3-yl)carbamate

ethyl N-(2-methyl-4-oxohexan-3-yl)carbamate (PubChem CID 90967587) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl N-(2-methyl-4-oxohexan-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-methyl-4-oxohexan-3-yl)carbamate
PubChem CID90967587
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl N-(2-methyl-4-oxohexan-3-yl)carbamate
SMILESCCOC(=O)NC(C(=O)CC)C(C)C
InChIInChI=1S/C10H19NO3/c1-5-8(12)9(7(3)4)11-10(13)14-6-2/h7,9H,5-6H2,1-4H3,(H,11,13)
InChIKeyVPOUHCXZMJWNCJ-UHFFFAOYSA-N
XLogP1.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[(3R)-2-methyl-4-oxohexan-3-yl]carbamate
CID 88887792
ethyl N-[(3S)-2,5-dimethyl-4-oxohexan-3-yl]carbamate
CID 59090885
ethyl N-[(2R)-3-methyl-1-[[(2R)-3-methylbutan-2-yl]amino]-1-oxobutan-2-yl]carbamate
CID 97029169
ethyl N-[(2S)-3-methyl-1-[[(2S)-3-methylbutan-2-yl]amino]-1-oxobutan-2-yl]carbamate
CID 97029166
tert-butyl N-[(3R)-2-methyl-4-oxohexan-3-yl]carbamate
CID 58418547
N-[(3S)-2-methyl-4-oxohexan-3-yl]acetamide
CID 89131708
ethyl 2-[2-(ethoxycarbonylamino)propanoylamino]-3-methylbutanoate
CID 91709592
(2R)-2-amino-3-methyl-N-[(3S)-2-methyl-4-oxohexan-3-yl]butanamide
CID 155089118
ethyl N-propan-2-ylcarbamate;hydrochloride
CID 23364233
ethyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 15726645
ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 130166517
ethyl N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 78869511

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-methyl-4-oxohexan-3-yl)carbamate?
The IUPAC name of ethyl N-(2-methyl-4-oxohexan-3-yl)carbamate (CID 90967587) is ethyl N-(2-methyl-4-oxohexan-3-yl)carbamate.
What is the SMILES notation for ethyl N-(2-methyl-4-oxohexan-3-yl)carbamate?
The canonical SMILES for ethyl N-(2-methyl-4-oxohexan-3-yl)carbamate is CCOC(=O)NC(C(=O)CC)C(C)C.
What is the InChIKey of ethyl N-(2-methyl-4-oxohexan-3-yl)carbamate?
The InChIKey is VPOUHCXZMJWNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-8(12)9(7(3)4)11-10(13)14-6-2/h7,9H,5-6H2,1-4H3,(H,11,13).
What are the key properties of ethyl N-(2-methyl-4-oxohexan-3-yl)carbamate?
ethyl N-(2-methyl-4-oxohexan-3-yl)carbamate has a molecular weight of 201.27 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-methyl-4-oxohexan-3-yl)carbamate is sourced from PubChem (CID 90967587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).