butan-2-yl N-[6-(2-hydroxyethyl)-3-pyridinyl]carbamate

C12H18N2O3 — CID 160970410

IUPACbutan-2-yl N-[6-(2-hydroxyethyl)-3-pyridinyl]carbamate
SMILESCCC(C)OC(=O)Nc1ccc(CCO)nc1
InChIInChI=1S/C12H18N2O3/c1-3-9(2)17-12(16)14-11-5-4-10(6-7-15)13-8-11/h4-5,8-9,15H,3,6-7H2,1-2H3,(H,14,16)
InChIKeySYEHEDUOMLZAMS-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.96
Rot. Bonds5

About butan-2-yl N-[6-(2-hydroxyethyl)-3-pyridinyl]carbamate

butan-2-yl N-[6-(2-hydroxyethyl)-3-pyridinyl]carbamate (PubChem CID 160970410) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is butan-2-yl N-[6-(2-hydroxyethyl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Namebutan-2-yl N-[6-(2-hydroxyethyl)-3-pyridinyl]carbamate
PubChem CID160970410
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Namebutan-2-yl N-[6-(2-hydroxyethyl)-3-pyridinyl]carbamate
SMILESCCC(C)OC(=O)Nc1ccc(CCO)nc1
InChIInChI=1S/C12H18N2O3/c1-3-9(2)17-12(16)14-11-5-4-10(6-7-15)13-8-11/h4-5,8-9,15H,3,6-7H2,1-2H3,(H,14,16)
InChIKeySYEHEDUOMLZAMS-UHFFFAOYSA-N
XLogP1.96
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-butan-2-yl] N-(4-chlorophenyl)carbamate
CID 124748954
[(2S)-butan-2-yl] N-(4-bromophenyl)carbamate
CID 124750280
butan-2-yl N-(5-amino-2-pyridinyl)carbamate
CID 150685008
2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107339556
butan-2-yl N-(3-aminophenyl)carbamate
CID 60904542
[(2S)-2-methylbutyl] N-(6-bromo-3-pyridinyl)carbamate
CID 155739115
phenyl N-[6-(hydroxymethyl)-3-pyridinyl]carbamate
CID 86676127
ethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate
CID 115268615
tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate
CID 174674918
2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid
CID 107339238
2-[[4-[[4-(butan-2-yloxycarbonylamino)phenyl]methyl]phenyl]carbamoyloxy]propyl 2-methylprop-2-enoate
CID 142512779
propan-2-yl N-[2-[(2R)-2-hydroxypropoxy]pyrimidin-5-yl]carbamate
CID 145443905

Frequently Asked Questions

What is the IUPAC name of butan-2-yl N-[6-(2-hydroxyethyl)-3-pyridinyl]carbamate?
The IUPAC name of butan-2-yl N-[6-(2-hydroxyethyl)-3-pyridinyl]carbamate (CID 160970410) is butan-2-yl N-[6-(2-hydroxyethyl)-3-pyridinyl]carbamate.
What is the SMILES notation for butan-2-yl N-[6-(2-hydroxyethyl)-3-pyridinyl]carbamate?
The canonical SMILES for butan-2-yl N-[6-(2-hydroxyethyl)-3-pyridinyl]carbamate is CCC(C)OC(=O)Nc1ccc(CCO)nc1.
What is the InChIKey of butan-2-yl N-[6-(2-hydroxyethyl)-3-pyridinyl]carbamate?
The InChIKey is SYEHEDUOMLZAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-9(2)17-12(16)14-11-5-4-10(6-7-15)13-8-11/h4-5,8-9,15H,3,6-7H2,1-2H3,(H,14,16).
What are the key properties of butan-2-yl N-[6-(2-hydroxyethyl)-3-pyridinyl]carbamate?
butan-2-yl N-[6-(2-hydroxyethyl)-3-pyridinyl]carbamate has a molecular weight of 238.29 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl N-[6-(2-hydroxyethyl)-3-pyridinyl]carbamate is sourced from PubChem (CID 160970410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).