methyl N-(1-methoxypentan-2-yl)carbamate

C8H17NO3 — CID 116656283

IUPACmethyl N-(1-methoxypentan-2-yl)carbamate
SMILESCCCC(COC)NC(=O)OC
InChIInChI=1S/C8H17NO3/c1-4-5-7(6-11-2)9-8(10)12-3/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyVNKKXVJTZVTOIK-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.16
Rot. Bonds5

About methyl N-(1-methoxypentan-2-yl)carbamate

methyl N-(1-methoxypentan-2-yl)carbamate (PubChem CID 116656283) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is methyl N-(1-methoxypentan-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-methoxypentan-2-yl)carbamate
PubChem CID116656283
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Namemethyl N-(1-methoxypentan-2-yl)carbamate
SMILESCCCC(COC)NC(=O)OC
InChIInChI=1S/C8H17NO3/c1-4-5-7(6-11-2)9-8(10)12-3/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyVNKKXVJTZVTOIK-UHFFFAOYSA-N
XLogP1.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(1-methoxypentan-2-yl)carbamate
CID 64590516
2-hydroxy-N-(1-methoxypentan-2-yl)-2-methylpropanamide
CID 103430087
1-(1-methoxypentan-2-yl)-3-propylurea
CID 116656269
N-(1-methoxypentan-2-yl)-2-sulfanylpropanamide
CID 107030746
N-(1-methoxypentan-2-yl)-2-propoxyacetamide
CID 107941725
(2S)-2-amino-N-(1-methoxypentan-2-yl)butanamide
CID 79023147
2-amino-2-ethyl-N-(1-methoxypentan-2-yl)butanamide
CID 79813031
3-amino-2-methoxy-N-(1-methoxypentan-2-yl)propanamide
CID 106112962
N-(1-methoxypentan-2-yl)pyrrolidine-1-carboxamide
CID 116656284
methyl N-[1-(methoxycarbonylamino)butyl]carbamate
CID 174942846
tert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate
CID 53259998
tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate
CID 46941495

Frequently Asked Questions

What is the IUPAC name of methyl N-(1-methoxypentan-2-yl)carbamate?
The IUPAC name of methyl N-(1-methoxypentan-2-yl)carbamate (CID 116656283) is methyl N-(1-methoxypentan-2-yl)carbamate.
What is the SMILES notation for methyl N-(1-methoxypentan-2-yl)carbamate?
The canonical SMILES for methyl N-(1-methoxypentan-2-yl)carbamate is CCCC(COC)NC(=O)OC.
What is the InChIKey of methyl N-(1-methoxypentan-2-yl)carbamate?
The InChIKey is VNKKXVJTZVTOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-4-5-7(6-11-2)9-8(10)12-3/h7H,4-6H2,1-3H3,(H,9,10).
What are the key properties of methyl N-(1-methoxypentan-2-yl)carbamate?
methyl N-(1-methoxypentan-2-yl)carbamate has a molecular weight of 175.23 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-methoxypentan-2-yl)carbamate is sourced from PubChem (CID 116656283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).