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

C9H19NO3 — CID 64590516

IUPACethyl N-(1-methoxypentan-2-yl)carbamate
SMILESCCCC(COC)NC(=O)OCC
InChIInChI=1S/C9H19NO3/c1-4-6-8(7-12-3)10-9(11)13-5-2/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyHYZRYWMKIUUDMD-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.55
Rot. Bonds6

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

ethyl N-(1-methoxypentan-2-yl)carbamate (PubChem CID 64590516) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is ethyl N-(1-methoxypentan-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-methoxypentan-2-yl)carbamate
PubChem CID64590516
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nameethyl N-(1-methoxypentan-2-yl)carbamate
SMILESCCCC(COC)NC(=O)OCC
InChIInChI=1S/C9H19NO3/c1-4-6-8(7-12-3)10-9(11)13-5-2/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyHYZRYWMKIUUDMD-UHFFFAOYSA-N
XLogP1.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(1-methoxypentan-2-yl)carbamate
CID 116656283
(2S)-2-amino-N-(1-methoxypentan-2-yl)butanamide
CID 79023147
2-amino-2-ethyl-N-(1-methoxypentan-2-yl)butanamide
CID 79813031
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
ethyl 2-[2-(ethoxycarbonylamino)pentylamino]acetate
CID 166591582
3-amino-2-methoxy-N-(1-methoxypentan-2-yl)propanamide
CID 106112962
N-(1-methoxypentan-2-yl)-2-propoxyacetamide
CID 107941725
butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate
CID 88937334
ethyl 2-(methoxymethyl)pentanoate
CID 141084723
(2S)-2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)pentanamide
CID 106161059

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-methoxypentan-2-yl)carbamate?
The IUPAC name of ethyl N-(1-methoxypentan-2-yl)carbamate (CID 64590516) is ethyl N-(1-methoxypentan-2-yl)carbamate.
What is the SMILES notation for ethyl N-(1-methoxypentan-2-yl)carbamate?
The canonical SMILES for ethyl N-(1-methoxypentan-2-yl)carbamate is CCCC(COC)NC(=O)OCC.
What is the InChIKey of ethyl N-(1-methoxypentan-2-yl)carbamate?
The InChIKey is HYZRYWMKIUUDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-6-8(7-12-3)10-9(11)13-5-2/h8H,4-7H2,1-3H3,(H,10,11).
What are the key properties of ethyl N-(1-methoxypentan-2-yl)carbamate?
ethyl N-(1-methoxypentan-2-yl)carbamate has a molecular weight of 189.25 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-methoxypentan-2-yl)carbamate is sourced from PubChem (CID 64590516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).