tert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate

C14H21NO3 — CID 69212492

IUPACtert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate
SMILESCCN(C(=O)OC(C)(C)C)c1ccc(CO)cc1
InChIInChI=1S/C14H21NO3/c1-5-15(13(17)18-14(2,3)4)12-8-6-11(10-16)7-9-12/h6-9,16H,5,10H2,1-4H3
InChIKeyMXHDGRCVXHAKFT-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.94
Rot. Bonds3

About tert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate

tert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate (PubChem CID 69212492) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate
PubChem CID69212492
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nametert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate
SMILESCCN(C(=O)OC(C)(C)C)c1ccc(CO)cc1
InChIInChI=1S/C14H21NO3/c1-5-15(13(17)18-14(2,3)4)12-8-6-11(10-16)7-9-12/h6-9,16H,5,10H2,1-4H3
InChIKeyMXHDGRCVXHAKFT-UHFFFAOYSA-N
XLogP2.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(cyclopropylmethyl)-N-[4-(hydroxymethyl)phenyl]carbamate
CID 153425981
tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate
CID 25187106
tert-butyl N-amino-N-[4-(hydroxymethyl)phenyl]carbamate
CID 101478872
tert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate
CID 43275716
tert-butyl N-[4-(hydroxymethyl)phenyl]-N-[N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 90688542
tert-butyl N-(3,4-difluorophenyl)-N-[2-[4-(hydroxymethyl)-N-methylanilino]-2-oxoethyl]carbamate
CID 70028761
tert-butyl N-[4-(hydroxymethyl)phenyl]-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]carbamate
CID 68886047
tert-butyl N-ethyl-N-(3-methylsulfanylphenyl)carbamate
CID 139972373
tert-butyl N-(2-aminoethyl)-N-[4-(hydroxymethyl)benzoyl]carbamate
CID 67919243
tert-butyl 4-(hydroxymethyl)benzoate
CID 14760326
tert-butyl N-ethyl-N-(3-fluoro-4-nitrophenyl)carbamate
CID 125115881
tert-butyl N-hexyl-N-phenylcarbamate
CID 135064745

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate (CID 69212492) is tert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate is CCN(C(=O)OC(C)(C)C)c1ccc(CO)cc1.
What is the InChIKey of tert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate?
The InChIKey is MXHDGRCVXHAKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-15(13(17)18-14(2,3)4)12-8-6-11(10-16)7-9-12/h6-9,16H,5,10H2,1-4H3.
What are the key properties of tert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate?
tert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate has a molecular weight of 251.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate is sourced from PubChem (CID 69212492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).