2-hydroxyethyl N-[4-(dimethylamino)butyl]carbamate

C9H20N2O3 — CID 79348724

IUPAC2-hydroxyethyl N-[4-(dimethylamino)butyl]carbamate
SMILESCN(C)CCCCNC(=O)OCCO
InChIInChI=1S/C9H20N2O3/c1-11(2)6-4-3-5-10-9(13)14-8-7-12/h12H,3-8H2,1-2H3,(H,10,13)
InChIKeyWFAUQCLHEBCQIQ-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.05
Rot. Bonds7

About 2-hydroxyethyl N-[4-(dimethylamino)butyl]carbamate

2-hydroxyethyl N-[4-(dimethylamino)butyl]carbamate (PubChem CID 79348724) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-hydroxyethyl N-[4-(dimethylamino)butyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[4-(dimethylamino)butyl]carbamate
PubChem CID79348724
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name2-hydroxyethyl N-[4-(dimethylamino)butyl]carbamate
SMILESCN(C)CCCCNC(=O)OCCO
InChIInChI=1S/C9H20N2O3/c1-11(2)6-4-3-5-10-9(13)14-8-7-12/h12H,3-8H2,1-2H3,(H,10,13)
InChIKeyWFAUQCLHEBCQIQ-UHFFFAOYSA-N
XLogP0.05
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-hydroxyethyl N-(5-methylhexyl)carbamate
CID 115327389
6-(2-hydroxyethoxycarbonylamino)hexanoic acid
CID 170252830
2-hydroxyethyl N-propylcarbamate
CID 15560805
4-hydroxybutyl N-[4-(4-hydroxybutoxycarbonylamino)butyl]carbamate
CID 175946939
2-hydroxyethyl N-(3-propoxypropyl)carbamate
CID 82947518
2-(dimethylamino)ethyl N-(4-isocyanatobutyl)carbamate
CID 134398370
butan-2-yl N-[4-(dimethylamino)butyl]carbamate
CID 20721719
2-(2-hydroxyethoxy)ethyl N-octadecylcarbamate
CID 14782678
butyl N-(3-hydroxypropyl)carbamate
CID 57302125
1-[3-(dimethylamino)propyl]-3-(hydroxymethyl)urea
CID 19885771
2-hydroxyethyl N-[2-(2-methoxyethoxy)ethyl]carbamate
CID 79348554

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[4-(dimethylamino)butyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[4-(dimethylamino)butyl]carbamate (CID 79348724) is 2-hydroxyethyl N-[4-(dimethylamino)butyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[4-(dimethylamino)butyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[4-(dimethylamino)butyl]carbamate is CN(C)CCCCNC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-[4-(dimethylamino)butyl]carbamate?
The InChIKey is WFAUQCLHEBCQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-11(2)6-4-3-5-10-9(13)14-8-7-12/h12H,3-8H2,1-2H3,(H,10,13).
What are the key properties of 2-hydroxyethyl N-[4-(dimethylamino)butyl]carbamate?
2-hydroxyethyl N-[4-(dimethylamino)butyl]carbamate has a molecular weight of 204.27 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[4-(dimethylamino)butyl]carbamate is sourced from PubChem (CID 79348724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).