2-methylpropyl N,N-bis(2-hydroxyethyl)carbamate

C9H19NO4 — CID 61233456

IUPAC2-methylpropyl N,N-bis(2-hydroxyethyl)carbamate
SMILESCC(C)COC(=O)N(CCO)CCO
InChIInChI=1S/C9H19NO4/c1-8(2)7-14-9(13)10(3-5-11)4-6-12/h8,11-12H,3-7H2,1-2H3
InChIKeyAPEGORGKNMHETJ-UHFFFAOYSA-N
MW205.25 g/mol
LogP0.07
Rot. Bonds6

About 2-methylpropyl N,N-bis(2-hydroxyethyl)carbamate

2-methylpropyl N,N-bis(2-hydroxyethyl)carbamate (PubChem CID 61233456) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 2-methylpropyl N,N-bis(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N,N-bis(2-hydroxyethyl)carbamate
PubChem CID61233456
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2-methylpropyl N,N-bis(2-hydroxyethyl)carbamate
SMILESCC(C)COC(=O)N(CCO)CCO
InChIInChI=1S/C9H19NO4/c1-8(2)7-14-9(13)10(3-5-11)4-6-12/h8,11-12H,3-7H2,1-2H3
InChIKeyAPEGORGKNMHETJ-UHFFFAOYSA-N
XLogP0.07
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-methylpropyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
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2-methylpropyl N-(2-chloroethyl)-N-methylcarbamate
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2-methylpropyl N,N-dibutylcarbamate;bis(2-methylpropyl N,N-diethylcarbamate);2-methylpropyl N,N-dihexylcarbamate;decakis(2-methylpropyl N-ethyl-N-methylcarbamate)
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2-methylpropyl N-(2-methoxyethyl)-N-methylcarbamate
CID 167089831
2-methylpropyl N-methyl-N-(2-methylprop-2-enyl)carbamate
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2-[2-methylpropoxycarbonyl(prop-2-enyl)amino]acetic acid
CID 79263335
ethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate
CID 107483466
2-[methyl(2-methylpropoxycarbonyl)amino]ethyl acetate
CID 165163871
2-hydroxyethyl(2-methylpropyl)carbamic acid
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2-hydroxyethyl N-hexyl-N-(2-hydroxyethyl)carbamate
CID 57213221

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N,N-bis(2-hydroxyethyl)carbamate?
The IUPAC name of 2-methylpropyl N,N-bis(2-hydroxyethyl)carbamate (CID 61233456) is 2-methylpropyl N,N-bis(2-hydroxyethyl)carbamate.
What is the SMILES notation for 2-methylpropyl N,N-bis(2-hydroxyethyl)carbamate?
The canonical SMILES for 2-methylpropyl N,N-bis(2-hydroxyethyl)carbamate is CC(C)COC(=O)N(CCO)CCO.
What is the InChIKey of 2-methylpropyl N,N-bis(2-hydroxyethyl)carbamate?
The InChIKey is APEGORGKNMHETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-8(2)7-14-9(13)10(3-5-11)4-6-12/h8,11-12H,3-7H2,1-2H3.
What are the key properties of 2-methylpropyl N,N-bis(2-hydroxyethyl)carbamate?
2-methylpropyl N,N-bis(2-hydroxyethyl)carbamate has a molecular weight of 205.25 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N,N-bis(2-hydroxyethyl)carbamate is sourced from PubChem (CID 61233456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).