tert-butyl N-[4-methoxy-2-[3-(3-methylphenyl)propanoylamino]phenyl]carbamate

C22H28N2O4 — CID 60556997

IUPACtert-butyl N-[4-methoxy-2-[3-(3-methylphenyl)propanoylamino]phenyl]carbamate
SMILESCOc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)CCc2cccc(C)c2)c1
InChIInChI=1S/C22H28N2O4/c1-15-7-6-8-16(13-15)9-12-20(25)23-19-14-17(27-5)10-11-18(19)24-21(26)28-22(2,3)4/h6-8,10-11,13-14H,9,12H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyGAXUXPXIHVSNFT-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.92
Rot. Bonds6

About tert-butyl N-[4-methoxy-2-[3-(3-methylphenyl)propanoylamino]phenyl]carbamate

tert-butyl N-[4-methoxy-2-[3-(3-methylphenyl)propanoylamino]phenyl]carbamate (PubChem CID 60556997) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is tert-butyl N-[4-methoxy-2-[3-(3-methylphenyl)propanoylamino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-methoxy-2-[3-(3-methylphenyl)propanoylamino]phenyl]carbamate
PubChem CID60556997
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Nametert-butyl N-[4-methoxy-2-[3-(3-methylphenyl)propanoylamino]phenyl]carbamate
SMILESCOc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)CCc2cccc(C)c2)c1
InChIInChI=1S/C22H28N2O4/c1-15-7-6-8-16(13-15)9-12-20(25)23-19-14-17(27-5)10-11-18(19)24-21(26)28-22(2,3)4/h6-8,10-11,13-14H,9,12H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyGAXUXPXIHVSNFT-UHFFFAOYSA-N
XLogP4.92
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[4-methoxy-2-[3-(3-methylphenyl)propanoylamino]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

N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)propanamide
CID 51276940
N-(3-methoxyphenyl)-2-[3-(3-methylphenyl)propanoylamino]benzamide
CID 55456678
N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 47128848
3-(3-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82726212
tert-butyl N-ethyl-N-[[2-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]carbamate
CID 60557825
tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate
CID 12843045
N-(2,4-dimethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019684
tert-butyl N-[2-[4-[[3-(3-methoxyphenyl)propanoylamino]methyl]anilino]-2-oxoethyl]carbamate
CID 108917788
tert-butyl N-[4-methoxy-2-(3-methylbutylamino)phenyl]carbamate
CID 107239683
N-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17173046
tert-butyl N-[4-methoxy-2-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate
CID 107239723
tert-butyl N-[3-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]anilino]-3-oxopropyl]carbamate
CID 108920282

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-methoxy-2-[3-(3-methylphenyl)propanoylamino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-methoxy-2-[3-(3-methylphenyl)propanoylamino]phenyl]carbamate (CID 60556997) is tert-butyl N-[4-methoxy-2-[3-(3-methylphenyl)propanoylamino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-methoxy-2-[3-(3-methylphenyl)propanoylamino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-methoxy-2-[3-(3-methylphenyl)propanoylamino]phenyl]carbamate is COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)CCc2cccc(C)c2)c1.
What is the InChIKey of tert-butyl N-[4-methoxy-2-[3-(3-methylphenyl)propanoylamino]phenyl]carbamate?
The InChIKey is GAXUXPXIHVSNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15-7-6-8-16(13-15)9-12-20(25)23-19-14-17(27-5)10-11-18(19)24-21(26)28-22(2,3)4/h6-8,10-11,13-14H,9,12H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of tert-butyl N-[4-methoxy-2-[3-(3-methylphenyl)propanoylamino]phenyl]carbamate?
tert-butyl N-[4-methoxy-2-[3-(3-methylphenyl)propanoylamino]phenyl]carbamate has a molecular weight of 384.48 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-methoxy-2-[3-(3-methylphenyl)propanoylamino]phenyl]carbamate is sourced from PubChem (CID 60556997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).