2-hydroxyethyl N-(5-methylhexyl)carbamate

C10H21NO3 — CID 115327389

IUPAC2-hydroxyethyl N-(5-methylhexyl)carbamate
SMILESCC(C)CCCCNC(=O)OCCO
InChIInChI=1S/C10H21NO3/c1-9(2)5-3-4-6-11-10(13)14-8-7-12/h9,12H,3-8H2,1-2H3,(H,11,13)
InChIKeyNCDJGMJDIMBXSM-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.53
Rot. Bonds7

About 2-hydroxyethyl N-(5-methylhexyl)carbamate

2-hydroxyethyl N-(5-methylhexyl)carbamate (PubChem CID 115327389) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-hydroxyethyl N-(5-methylhexyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(5-methylhexyl)carbamate
PubChem CID115327389
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-hydroxyethyl N-(5-methylhexyl)carbamate
SMILESCC(C)CCCCNC(=O)OCCO
InChIInChI=1S/C10H21NO3/c1-9(2)5-3-4-6-11-10(13)14-8-7-12/h9,12H,3-8H2,1-2H3,(H,11,13)
InChIKeyNCDJGMJDIMBXSM-UHFFFAOYSA-N
XLogP1.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl N-heptylcarbamate
CID 124705283
2,6-bis(2-hydroxyethoxycarbonylamino)hexanoic acid
CID 177147686
2-hydroxyethyl N-[4-(dimethylamino)butyl]carbamate
CID 79348724
6-(2-hydroxyethoxycarbonylamino)hexanoic acid
CID 170252830
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
2-hydroxyethyl N-propylcarbamate
CID 15560805
4-hydroxybutyl N-[4-(4-hydroxybutoxycarbonylamino)butyl]carbamate
CID 175946939
2-hydroxyethyl N-(5-methylhexan-2-yl)carbamate
CID 79348697
2-hydroxyethyl N-(3-propoxypropyl)carbamate
CID 82947518
2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate
CID 91749295
1-methyl-3-(7-methyloctyl)urea
CID 71899901
2,2,2-trifluoroethyl N-(4-methylpentyl)carbamate
CID 23060469

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(5-methylhexyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(5-methylhexyl)carbamate (CID 115327389) is 2-hydroxyethyl N-(5-methylhexyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(5-methylhexyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(5-methylhexyl)carbamate is CC(C)CCCCNC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-(5-methylhexyl)carbamate?
The InChIKey is NCDJGMJDIMBXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-9(2)5-3-4-6-11-10(13)14-8-7-12/h9,12H,3-8H2,1-2H3,(H,11,13).
What are the key properties of 2-hydroxyethyl N-(5-methylhexyl)carbamate?
2-hydroxyethyl N-(5-methylhexyl)carbamate has a molecular weight of 203.28 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(5-methylhexyl)carbamate is sourced from PubChem (CID 115327389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).