phenyl N-[4-[(propan-2-ylamino)methyl]phenyl]carbamate

C17H20N2O2 — CID 106911564

IUPACphenyl N-[4-[(propan-2-ylamino)methyl]phenyl]carbamate
SMILESCC(C)NCc1ccc(NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c1-13(2)18-12-14-8-10-15(11-9-14)19-17(20)21-16-6-4-3-5-7-16/h3-11,13,18H,12H2,1-2H3,(H,19,20)
InChIKeyJBMSAYQZMZHOBO-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.80
Rot. Bonds5

About phenyl N-[4-[(propan-2-ylamino)methyl]phenyl]carbamate

phenyl N-[4-[(propan-2-ylamino)methyl]phenyl]carbamate (PubChem CID 106911564) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is phenyl N-[4-[(propan-2-ylamino)methyl]phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-[(propan-2-ylamino)methyl]phenyl]carbamate
PubChem CID106911564
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Namephenyl N-[4-[(propan-2-ylamino)methyl]phenyl]carbamate
SMILESCC(C)NCc1ccc(NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c1-13(2)18-12-14-8-10-15(11-9-14)19-17(20)21-16-6-4-3-5-7-16/h3-11,13,18H,12H2,1-2H3,(H,19,20)
InChIKeyJBMSAYQZMZHOBO-UHFFFAOYSA-N
XLogP3.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze phenyl N-[4-[(propan-2-ylamino)methyl]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

phenyl N-[4-[(2-methylpent-1-en-3-ylamino)methyl]phenyl]carbamate
CID 166706531
methyl 2-[4-(phenoxycarbonylamino)phenyl]acetate
CID 10957066
phenyl N-(4-pentylphenyl)carbamate
CID 60630597
2,2,2-trifluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 15498276
(4-phenylphenyl) N-[4-[[4-[(4-phenylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate
CID 67179519
phenyl N-(4-iodophenyl)carbamate
CID 73442286
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
phenyl N-(4-cyclohexylphenyl)carbamate
CID 176960399
phenyl N-(4-carbamoylphenyl)carbamate
CID 60631229
[4-(phenoxycarbonylamino)phenyl] 2-methylprop-2-enoate
CID 19076921
phenyl N-[3-(methylaminomethyl)phenyl]carbamate
CID 43602480
N-benzylpropan-2-amine;propan-2-yloxybenzene
CID 169144448

Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-[(propan-2-ylamino)methyl]phenyl]carbamate?
The IUPAC name of phenyl N-[4-[(propan-2-ylamino)methyl]phenyl]carbamate (CID 106911564) is phenyl N-[4-[(propan-2-ylamino)methyl]phenyl]carbamate.
What is the SMILES notation for phenyl N-[4-[(propan-2-ylamino)methyl]phenyl]carbamate?
The canonical SMILES for phenyl N-[4-[(propan-2-ylamino)methyl]phenyl]carbamate is CC(C)NCc1ccc(NC(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl N-[4-[(propan-2-ylamino)methyl]phenyl]carbamate?
The InChIKey is JBMSAYQZMZHOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13(2)18-12-14-8-10-15(11-9-14)19-17(20)21-16-6-4-3-5-7-16/h3-11,13,18H,12H2,1-2H3,(H,19,20).
What are the key properties of phenyl N-[4-[(propan-2-ylamino)methyl]phenyl]carbamate?
phenyl N-[4-[(propan-2-ylamino)methyl]phenyl]carbamate has a molecular weight of 284.36 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-[(propan-2-ylamino)methyl]phenyl]carbamate is sourced from PubChem (CID 106911564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).