tert-butyl N-methyl-N-[[3-[(2-methylcyclopentyl)amino]phenyl]methyl]carbamate

C19H30N2O2 — CID 107243034

IUPACtert-butyl N-methyl-N-[[3-[(2-methylcyclopentyl)amino]phenyl]methyl]carbamate
SMILESCC1CCCC1Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C19H30N2O2/c1-14-8-6-11-17(14)20-16-10-7-9-15(12-16)13-21(5)18(22)23-19(2,3)4/h7,9-10,12,14,17,20H,6,8,11,13H2,1-5H3
InChIKeyAEPDLNIGRFONON-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.65
Rot. Bonds4

About tert-butyl N-methyl-N-[[3-[(2-methylcyclopentyl)amino]phenyl]methyl]carbamate

tert-butyl N-methyl-N-[[3-[(2-methylcyclopentyl)amino]phenyl]methyl]carbamate (PubChem CID 107243034) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[[3-[(2-methylcyclopentyl)amino]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[[3-[(2-methylcyclopentyl)amino]phenyl]methyl]carbamate
PubChem CID107243034
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-methyl-N-[[3-[(2-methylcyclopentyl)amino]phenyl]methyl]carbamate
SMILESCC1CCCC1Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C19H30N2O2/c1-14-8-6-11-17(14)20-16-10-7-9-15(12-16)13-21(5)18(22)23-19(2,3)4/h7,9-10,12,14,17,20H,6,8,11,13H2,1-5H3
InChIKeyAEPDLNIGRFONON-UHFFFAOYSA-N
XLogP4.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-methyl-N-[[3-[(2-methylcyclopentyl)amino]phenyl]methyl]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-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate
CID 107243019
tert-butyl N-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]carbamate
CID 103892836
tert-butyl N-[[3-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]methyl]-N-methylcarbamate
CID 78866397
tert-butyl N-[[3-(2,2-dimethoxyethylamino)phenyl]methyl]-N-methylcarbamate
CID 107242997
3-(methoxymethyl)-N-(2-methylcyclopentyl)aniline
CID 65044502
methyl 2-[3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]anilino]propanoate
CID 107243030
tert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]-N-methylcarbamate
CID 103936292
tert-butyl N-[[3-[(4-benzamidobenzoyl)amino]phenyl]methyl]-N-methylcarbamate
CID 55647395
tert-butyl N-[[3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]phenyl]methyl]-N-methylcarbamate
CID 55647789
tert-butyl N-[[3-(1,3-benzodioxole-5-carbonylamino)phenyl]methyl]-N-methylcarbamate
CID 55647227
N-methyl-N-[[3-[(2-methyloxolan-3-yl)amino]phenyl]methyl]acetamide
CID 82726630
tert-butyl N-[[3-[(1,5-dimethylpyrrole-2-carbonyl)amino]phenyl]methyl]-N-methylcarbamate
CID 60510983

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[[3-[(2-methylcyclopentyl)amino]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[[3-[(2-methylcyclopentyl)amino]phenyl]methyl]carbamate (CID 107243034) is tert-butyl N-methyl-N-[[3-[(2-methylcyclopentyl)amino]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[[3-[(2-methylcyclopentyl)amino]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[[3-[(2-methylcyclopentyl)amino]phenyl]methyl]carbamate is CC1CCCC1Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-methyl-N-[[3-[(2-methylcyclopentyl)amino]phenyl]methyl]carbamate?
The InChIKey is AEPDLNIGRFONON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14-8-6-11-17(14)20-16-10-7-9-15(12-16)13-21(5)18(22)23-19(2,3)4/h7,9-10,12,14,17,20H,6,8,11,13H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[[3-[(2-methylcyclopentyl)amino]phenyl]methyl]carbamate?
tert-butyl N-methyl-N-[[3-[(2-methylcyclopentyl)amino]phenyl]methyl]carbamate has a molecular weight of 318.46 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[[3-[(2-methylcyclopentyl)amino]phenyl]methyl]carbamate is sourced from PubChem (CID 107243034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).