ethyl N-[4-(ethoxycarbonylamino)pentan-2-yl]-N-methylcarbamate

C12H24N2O4 — CID 142322380

IUPACethyl N-[4-(ethoxycarbonylamino)pentan-2-yl]-N-methylcarbamate
SMILESCCOC(=O)NC(C)CC(C)N(C)C(=O)OCC
InChIInChI=1S/C12H24N2O4/c1-6-17-11(15)13-9(3)8-10(4)14(5)12(16)18-7-2/h9-10H,6-8H2,1-5H3,(H,13,15)
InChIKeySYQFSKRAYOKYRW-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.99
Rot. Bonds6

About ethyl N-[4-(ethoxycarbonylamino)pentan-2-yl]-N-methylcarbamate

ethyl N-[4-(ethoxycarbonylamino)pentan-2-yl]-N-methylcarbamate (PubChem CID 142322380) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is ethyl N-[4-(ethoxycarbonylamino)pentan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[4-(ethoxycarbonylamino)pentan-2-yl]-N-methylcarbamate
PubChem CID142322380
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Nameethyl N-[4-(ethoxycarbonylamino)pentan-2-yl]-N-methylcarbamate
SMILESCCOC(=O)NC(C)CC(C)N(C)C(=O)OCC
InChIInChI=1S/C12H24N2O4/c1-6-17-11(15)13-9(3)8-10(4)14(5)12(16)18-7-2/h9-10H,6-8H2,1-5H3,(H,13,15)
InChIKeySYQFSKRAYOKYRW-UHFFFAOYSA-N
XLogP1.99
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethoxycarbonyl(methyl)amino]butanoic acid
CID 175076556
ethyl N-(1-bromopropan-2-yl)carbamate
CID 174248965
ethyl N-(6-methylheptan-2-yl)carbamate
CID 60652004
methyl (3R)-3-(ethoxycarbonylamino)butanoate
CID 102236477
[(2S)-2-(ethoxycarbonylamino)propyl] acetate
CID 131844256
ethyl N-propan-2-ylcarbamate;hydrochloride
CID 23364233
ethyl N-pent-4-en-2-ylcarbamate
CID 112691558
ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 130166517
ethyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 15726645
ethyl N-(5-chloro-4-oxopentan-2-yl)carbamate
CID 104700785
5-(ethoxycarbonylamino)hexanoic acid
CID 82855012
ethyl 2-[ethoxycarbonyl(methyl)amino]-3-methylpentanoate
CID 155456106

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(ethoxycarbonylamino)pentan-2-yl]-N-methylcarbamate?
The IUPAC name of ethyl N-[4-(ethoxycarbonylamino)pentan-2-yl]-N-methylcarbamate (CID 142322380) is ethyl N-[4-(ethoxycarbonylamino)pentan-2-yl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[4-(ethoxycarbonylamino)pentan-2-yl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[4-(ethoxycarbonylamino)pentan-2-yl]-N-methylcarbamate is CCOC(=O)NC(C)CC(C)N(C)C(=O)OCC.
What is the InChIKey of ethyl N-[4-(ethoxycarbonylamino)pentan-2-yl]-N-methylcarbamate?
The InChIKey is SYQFSKRAYOKYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-6-17-11(15)13-9(3)8-10(4)14(5)12(16)18-7-2/h9-10H,6-8H2,1-5H3,(H,13,15).
What are the key properties of ethyl N-[4-(ethoxycarbonylamino)pentan-2-yl]-N-methylcarbamate?
ethyl N-[4-(ethoxycarbonylamino)pentan-2-yl]-N-methylcarbamate has a molecular weight of 260.33 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(ethoxycarbonylamino)pentan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 142322380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).