tert-butyl N-butyl-N-[[3-[(cyclopropylamino)methyl]-5-ethylphenyl]methyl]carbamate;ethane

C24H42N2O2 — CID 143499826

IUPACtert-butyl N-butyl-N-[[3-[(cyclopropylamino)methyl]-5-ethylphenyl]methyl]carbamate;ethane
SMILESCC.CCCCN(Cc1cc(CC)cc(CNC2CC2)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C22H36N2O2.C2H6/c1-6-8-11-24(21(25)26-22(3,4)5)16-19-13-17(7-2)12-18(14-19)15-23-20-9-10-20;1-2/h12-14,20,23H,6-11,15-16H2,1-5H3;1-2H3
InChIKeyBGZOFLQXBDLXQP-UHFFFAOYSA-N
MW390.61 g/mol
LogP6.06
Rot. Bonds9

About tert-butyl N-butyl-N-[[3-[(cyclopropylamino)methyl]-5-ethylphenyl]methyl]carbamate;ethane

tert-butyl N-butyl-N-[[3-[(cyclopropylamino)methyl]-5-ethylphenyl]methyl]carbamate;ethane (PubChem CID 143499826) has the molecular formula C24H42N2O2 and a molecular weight of 390.61 g/mol. Its IUPAC name is tert-butyl N-butyl-N-[[3-[(cyclopropylamino)methyl]-5-ethylphenyl]methyl]carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-butyl-N-[[3-[(cyclopropylamino)methyl]-5-ethylphenyl]methyl]carbamate;ethane
PubChem CID143499826
Molecular FormulaC24H42N2O2
Molecular Weight390.61 g/mol
Exact Mass390.32
IUPAC Nametert-butyl N-butyl-N-[[3-[(cyclopropylamino)methyl]-5-ethylphenyl]methyl]carbamate;ethane
SMILESCC.CCCCN(Cc1cc(CC)cc(CNC2CC2)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C22H36N2O2.C2H6/c1-6-8-11-24(21(25)26-22(3,4)5)16-19-13-17(7-2)12-18(14-19)15-23-20-9-10-20;1-2/h12-14,20,23H,6-11,15-16H2,1-5H3;1-2H3
InChIKeyBGZOFLQXBDLXQP-UHFFFAOYSA-N
XLogP6.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.61
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-butyl-N-[[3-[(cyclopropylamino)methyl]-5-ethylphenyl]methyl]carbamate;ethane 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-[[4-chloro-3-[(cyclopropylamino)methyl]phenyl]methyl]-N-ethylcarbamate
CID 68506750
[4-[[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]boronic acid
CID 70646200
tert-butyl N-[[4-(aminomethyl)phenyl]methyl]-N-[4-(dipropylamino)butyl]carbamate
CID 66941409
tert-butyl N-[(3,4-dihydroxyphenyl)methyl]-N-hexylcarbamate
CID 142731263
tert-butyl N-ethyl-N-[3-[(4-propylcyclohexyl)amino]propyl]carbamate
CID 107242772
tert-butyl N-[(4-bromo-2,6-dimethylphenyl)methyl]-N-butylcarbamate
CID 172876603
tert-butyl N-butyl-N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate
CID 70646195
tert-butyl N,N-dipentylcarbamate
CID 65142743
tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate
CID 10015720
3-[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 42656893
5-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 22006392
tert-butyl N-butyl-N-(2-chloroethyl)carbamate
CID 114293365

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-butyl-N-[[3-[(cyclopropylamino)methyl]-5-ethylphenyl]methyl]carbamate;ethane?
The IUPAC name of tert-butyl N-butyl-N-[[3-[(cyclopropylamino)methyl]-5-ethylphenyl]methyl]carbamate;ethane (CID 143499826) is tert-butyl N-butyl-N-[[3-[(cyclopropylamino)methyl]-5-ethylphenyl]methyl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-butyl-N-[[3-[(cyclopropylamino)methyl]-5-ethylphenyl]methyl]carbamate;ethane?
The canonical SMILES for tert-butyl N-butyl-N-[[3-[(cyclopropylamino)methyl]-5-ethylphenyl]methyl]carbamate;ethane is CC.CCCCN(Cc1cc(CC)cc(CNC2CC2)c1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-butyl-N-[[3-[(cyclopropylamino)methyl]-5-ethylphenyl]methyl]carbamate;ethane?
The InChIKey is BGZOFLQXBDLXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2.C2H6/c1-6-8-11-24(21(25)26-22(3,4)5)16-19-13-17(7-2)12-18(14-19)15-23-20-9-10-20;1-2/h12-14,20,23H,6-11,15-16H2,1-5H3;1-2H3.
What are the key properties of tert-butyl N-butyl-N-[[3-[(cyclopropylamino)methyl]-5-ethylphenyl]methyl]carbamate;ethane?
tert-butyl N-butyl-N-[[3-[(cyclopropylamino)methyl]-5-ethylphenyl]methyl]carbamate;ethane has a molecular weight of 390.61 g/mol, XLogP of 6.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-butyl-N-[[3-[(cyclopropylamino)methyl]-5-ethylphenyl]methyl]carbamate;ethane is sourced from PubChem (CID 143499826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).