N-(4-chloro-2-methoxyphenyl)-2-[2-methoxy-4-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]phenoxy]acetamide

C27H29ClN2O4 — CID 47008087

IUPACN-(4-chloro-2-methoxyphenyl)-2-[2-methoxy-4-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]phenoxy]acetamide
SMILESCOc1cc(Cl)ccc1NC(=O)COc1ccc(CNC2CCCc3ccccc32)cc1OC
InChIInChI=1S/C27H29ClN2O4/c1-32-25-15-20(28)11-12-23(25)30-27(31)17-34-24-13-10-18(14-26(24)33-2)16-29-22-9-5-7-19-6-3-4-8-21(19)22/h3-4,6,8,10-15,22,29H,5,7,9,16-17H2,1-2H3,(H,30,31)
InChIKeyGJLWRWLRQDHJJJ-UHFFFAOYSA-N
MW480.99 g/mol
LogP5.54
Rot. Bonds9

About N-(4-chloro-2-methoxyphenyl)-2-[2-methoxy-4-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]phenoxy]acetamide

N-(4-chloro-2-methoxyphenyl)-2-[2-methoxy-4-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]phenoxy]acetamide (PubChem CID 47008087) has the molecular formula C27H29ClN2O4 and a molecular weight of 480.99 g/mol. Its IUPAC name is N-(4-chloro-2-methoxyphenyl)-2-[2-methoxy-4-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxyphenyl)-2-[2-methoxy-4-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]phenoxy]acetamide
PubChem CID47008087
Molecular FormulaC27H29ClN2O4
Molecular Weight480.99 g/mol
Exact Mass480.18
IUPAC NameN-(4-chloro-2-methoxyphenyl)-2-[2-methoxy-4-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]phenoxy]acetamide
SMILESCOc1cc(Cl)ccc1NC(=O)COc1ccc(CNC2CCCc3ccccc32)cc1OC
InChIInChI=1S/C27H29ClN2O4/c1-32-25-15-20(28)11-12-23(25)30-27(31)17-34-24-13-10-18(14-26(24)33-2)16-29-22-9-5-7-19-6-3-4-8-21(19)22/h3-4,6,8,10-15,22,29H,5,7,9,16-17H2,1-2H3,(H,30,31)
InChIKeyGJLWRWLRQDHJJJ-UHFFFAOYSA-N
XLogP5.54
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.99
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-chloro-2-methoxyphenyl)-2-[2-methoxy-4-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]phenoxy]acetamide 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

[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-[2-(4-chloro-2-methoxyanilino)-2-oxoethoxy]benzoate
CID 2472553
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-[2-(4-chloro-2-methoxyanilino)-2-oxoethoxy]benzoate
CID 2472555
N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
CID 75531448
2-(2-methoxy-4-methylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2636502
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 5-chloro-2-methoxybenzoate
CID 2512300
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 5-chloro-2-methoxybenzoate
CID 4874832
4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2098259
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9261077
3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 51958121
3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4826101
4-[2-(4-ethoxyanilino)-2-oxoethoxy]-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4879241
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4881709

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxyphenyl)-2-[2-methoxy-4-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]phenoxy]acetamide?
The IUPAC name of N-(4-chloro-2-methoxyphenyl)-2-[2-methoxy-4-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]phenoxy]acetamide (CID 47008087) is N-(4-chloro-2-methoxyphenyl)-2-[2-methoxy-4-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxyphenyl)-2-[2-methoxy-4-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]phenoxy]acetamide?
The canonical SMILES for N-(4-chloro-2-methoxyphenyl)-2-[2-methoxy-4-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]phenoxy]acetamide is COc1cc(Cl)ccc1NC(=O)COc1ccc(CNC2CCCc3ccccc32)cc1OC.
What is the InChIKey of N-(4-chloro-2-methoxyphenyl)-2-[2-methoxy-4-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]phenoxy]acetamide?
The InChIKey is GJLWRWLRQDHJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O4/c1-32-25-15-20(28)11-12-23(25)30-27(31)17-34-24-13-10-18(14-26(24)33-2)16-29-22-9-5-7-19-6-3-4-8-21(19)22/h3-4,6,8,10-15,22,29H,5,7,9,16-17H2,1-2H3,(H,30,31).
What are the key properties of N-(4-chloro-2-methoxyphenyl)-2-[2-methoxy-4-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]phenoxy]acetamide?
N-(4-chloro-2-methoxyphenyl)-2-[2-methoxy-4-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]phenoxy]acetamide has a molecular weight of 480.99 g/mol, XLogP of 5.54, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxyphenyl)-2-[2-methoxy-4-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 47008087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).