ethyl N-[2-[3-hydroxybutyl(methyl)amino]acetyl]carbamate

C10H20N2O4 — CID 115665851

IUPACethyl N-[2-[3-hydroxybutyl(methyl)amino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(C)CCC(C)O
InChIInChI=1S/C10H20N2O4/c1-4-16-10(15)11-9(14)7-12(3)6-5-8(2)13/h8,13H,4-7H2,1-3H3,(H,11,14,15)
InChIKeySHCRCZOUAYQWBV-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.04
Rot. Bonds6

About ethyl N-[2-[3-hydroxybutyl(methyl)amino]acetyl]carbamate

ethyl N-[2-[3-hydroxybutyl(methyl)amino]acetyl]carbamate (PubChem CID 115665851) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl N-[2-[3-hydroxybutyl(methyl)amino]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[3-hydroxybutyl(methyl)amino]acetyl]carbamate
PubChem CID115665851
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Nameethyl N-[2-[3-hydroxybutyl(methyl)amino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(C)CCC(C)O
InChIInChI=1S/C10H20N2O4/c1-4-16-10(15)11-9(14)7-12(3)6-5-8(2)13/h8,13H,4-7H2,1-3H3,(H,11,14,15)
InChIKeySHCRCZOUAYQWBV-UHFFFAOYSA-N
XLogP-0.04
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-carbamoyl-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115665848
4-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]butanoic acid
CID 55005595
3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 55007638
N-(tert-butylcarbamoyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 113246222
methyl N-[2-[2-hydroxypropyl(methyl)amino]acetyl]carbamate
CID 62335232
2-[3-hydroxybutyl(methyl)amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 113246213
ethyl N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]acetyl]carbamate
CID 115758309
2-[3-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide
CID 111496814
2-[3-hydroxybutyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 111488551
diethyl 2-[3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propyl]propanedioate
CID 136571931
ethyl 2-[3-hydroxybutyl(methyl)amino]butanoate
CID 115665703
ethyl N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]carbamate
CID 9167602

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[3-hydroxybutyl(methyl)amino]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[3-hydroxybutyl(methyl)amino]acetyl]carbamate (CID 115665851) is ethyl N-[2-[3-hydroxybutyl(methyl)amino]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[3-hydroxybutyl(methyl)amino]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[3-hydroxybutyl(methyl)amino]acetyl]carbamate is CCOC(=O)NC(=O)CN(C)CCC(C)O.
What is the InChIKey of ethyl N-[2-[3-hydroxybutyl(methyl)amino]acetyl]carbamate?
The InChIKey is SHCRCZOUAYQWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-4-16-10(15)11-9(14)7-12(3)6-5-8(2)13/h8,13H,4-7H2,1-3H3,(H,11,14,15).
What are the key properties of ethyl N-[2-[3-hydroxybutyl(methyl)amino]acetyl]carbamate?
ethyl N-[2-[3-hydroxybutyl(methyl)amino]acetyl]carbamate has a molecular weight of 232.28 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[3-hydroxybutyl(methyl)amino]acetyl]carbamate is sourced from PubChem (CID 115665851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).