2-hydroxyethyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate

C14H21NO3 — CID 79345773

IUPAC2-hydroxyethyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
SMILESCC(C)c1ccc(CN(C)C(=O)OCCO)cc1
InChIInChI=1S/C14H21NO3/c1-11(2)13-6-4-12(5-7-13)10-15(3)14(17)18-9-8-16/h4-7,11,16H,8-10H2,1-3H3
InChIKeyYEXYJRVRAAUTSF-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.37
Rot. Bonds5

About 2-hydroxyethyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate

2-hydroxyethyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate (PubChem CID 79345773) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-hydroxyethyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
PubChem CID79345773
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-hydroxyethyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
SMILESCC(C)c1ccc(CN(C)C(=O)OCCO)cc1
InChIInChI=1S/C14H21NO3/c1-11(2)13-6-4-12(5-7-13)10-15(3)14(17)18-9-8-16/h4-7,11,16H,8-10H2,1-3H3
InChIKeyYEXYJRVRAAUTSF-UHFFFAOYSA-N
XLogP2.37
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 115190583
benzyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 118284724
N-methyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 60631160
2-hydroxyethyl N-[(3,5-dichlorophenyl)methyl]-N-methylcarbamate
CID 79346229
1,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]urea
CID 47127099
3-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 62671042
3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231087
2-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 114997651
3-cyano-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 94688472
1-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119681945
1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea
CID 115168591
2-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide;hydrochloride
CID 119681995

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate (CID 79345773) is 2-hydroxyethyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate is CC(C)c1ccc(CN(C)C(=O)OCCO)cc1.
What is the InChIKey of 2-hydroxyethyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate?
The InChIKey is YEXYJRVRAAUTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(2)13-6-4-12(5-7-13)10-15(3)14(17)18-9-8-16/h4-7,11,16H,8-10H2,1-3H3.
What are the key properties of 2-hydroxyethyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate?
2-hydroxyethyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate has a molecular weight of 251.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate is sourced from PubChem (CID 79345773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).