2-hydroxyethyl N-[3-(2-methylpropoxy)phenyl]carbamate

C13H19NO4 — CID 79346235

IUPAC2-hydroxyethyl N-[3-(2-methylpropoxy)phenyl]carbamate
SMILESCC(C)COc1cccc(NC(=O)OCCO)c1
InChIInChI=1S/C13H19NO4/c1-10(2)9-18-12-5-3-4-11(8-12)14-13(16)17-7-6-15/h3-5,8,10,15H,6-7,9H2,1-2H3,(H,14,16)
InChIKeyAHHZEBWEGXBGOU-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.26
Rot. Bonds6

About 2-hydroxyethyl N-[3-(2-methylpropoxy)phenyl]carbamate

2-hydroxyethyl N-[3-(2-methylpropoxy)phenyl]carbamate (PubChem CID 79346235) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-hydroxyethyl N-[3-(2-methylpropoxy)phenyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[3-(2-methylpropoxy)phenyl]carbamate
PubChem CID79346235
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-hydroxyethyl N-[3-(2-methylpropoxy)phenyl]carbamate
SMILESCC(C)COc1cccc(NC(=O)OCCO)c1
InChIInChI=1S/C13H19NO4/c1-10(2)9-18-12-5-3-4-11(8-12)14-13(16)17-7-6-15/h3-5,8,10,15H,6-7,9H2,1-2H3,(H,14,16)
InChIKeyAHHZEBWEGXBGOU-UHFFFAOYSA-N
XLogP2.26
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[3-(2-methylpropoxy)phenyl]carbamate
CID 60643144
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
3-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 64684468
3-[3-(2-methylpropoxy)anilino]-3-oxopropanoic acid
CID 62230040
2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284740
(2S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284742
(2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 39378942
ethyl 3-[3-(2-methylpropoxy)anilino]-3-oxopropanoate
CID 17097553
4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079614
(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284739
2-amino-3,3-dimethyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 76887829

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[3-(2-methylpropoxy)phenyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[3-(2-methylpropoxy)phenyl]carbamate (CID 79346235) is 2-hydroxyethyl N-[3-(2-methylpropoxy)phenyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[3-(2-methylpropoxy)phenyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[3-(2-methylpropoxy)phenyl]carbamate is CC(C)COc1cccc(NC(=O)OCCO)c1.
What is the InChIKey of 2-hydroxyethyl N-[3-(2-methylpropoxy)phenyl]carbamate?
The InChIKey is AHHZEBWEGXBGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-10(2)9-18-12-5-3-4-11(8-12)14-13(16)17-7-6-15/h3-5,8,10,15H,6-7,9H2,1-2H3,(H,14,16).
What are the key properties of 2-hydroxyethyl N-[3-(2-methylpropoxy)phenyl]carbamate?
2-hydroxyethyl N-[3-(2-methylpropoxy)phenyl]carbamate has a molecular weight of 253.30 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[3-(2-methylpropoxy)phenyl]carbamate is sourced from PubChem (CID 79346235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).