N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methoxy-4-methylphenoxy)propanamide

C21H27ClN2O4 — CID 86964008

IUPACN-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methoxy-4-methylphenoxy)propanamide
SMILESCOc1cc(C)ccc1OCCC(=O)Nc1ccc(OCCN(C)C)c(Cl)c1
InChIInChI=1S/C21H27ClN2O4/c1-15-5-7-19(20(13-15)26-4)27-11-9-21(25)23-16-6-8-18(17(22)14-16)28-12-10-24(2)3/h5-8,13-14H,9-12H2,1-4H3,(H,23,25)
InChIKeyCHAHJZQLZGMLTC-UHFFFAOYSA-N
MW406.91 g/mol
LogP4.01
Rot. Bonds10

About N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methoxy-4-methylphenoxy)propanamide

N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methoxy-4-methylphenoxy)propanamide (PubChem CID 86964008) has the molecular formula C21H27ClN2O4 and a molecular weight of 406.91 g/mol. Its IUPAC name is N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methoxy-4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methoxy-4-methylphenoxy)propanamide
PubChem CID86964008
Molecular FormulaC21H27ClN2O4
Molecular Weight406.91 g/mol
Exact Mass406.17
IUPAC NameN-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methoxy-4-methylphenoxy)propanamide
SMILESCOc1cc(C)ccc1OCCC(=O)Nc1ccc(OCCN(C)C)c(Cl)c1
InChIInChI=1S/C21H27ClN2O4/c1-15-5-7-19(20(13-15)26-4)27-11-9-21(25)23-16-6-8-18(17(22)14-16)28-12-10-24(2)3/h5-8,13-14H,9-12H2,1-4H3,(H,23,25)
InChIKeyCHAHJZQLZGMLTC-UHFFFAOYSA-N
XLogP4.01
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.91
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pentanamide;dihydrochloride
CID 120564955
2-(2-methoxy-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid
CID 2936004
N-(3-chloro-4-methoxyphenyl)-3-(3-methylphenoxy)propanamide
CID 2110464
N-(3-chloro-4-methoxyphenyl)-3-(2-methylphenoxy)propanamide
CID 2110283
(2R)-2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 119862046
4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 2282471
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
4-(2-bromo-4-methylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 19201751
2,6-dichloro-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyridine-4-carboxamide
CID 86964022
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
N-(3-chloro-4-methoxyphenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 7695455
3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 39087955

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methoxy-4-methylphenoxy)propanamide?
The IUPAC name of N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methoxy-4-methylphenoxy)propanamide (CID 86964008) is N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methoxy-4-methylphenoxy)propanamide.
What is the SMILES notation for N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methoxy-4-methylphenoxy)propanamide?
The canonical SMILES for N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methoxy-4-methylphenoxy)propanamide is COc1cc(C)ccc1OCCC(=O)Nc1ccc(OCCN(C)C)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methoxy-4-methylphenoxy)propanamide?
The InChIKey is CHAHJZQLZGMLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O4/c1-15-5-7-19(20(13-15)26-4)27-11-9-21(25)23-16-6-8-18(17(22)14-16)28-12-10-24(2)3/h5-8,13-14H,9-12H2,1-4H3,(H,23,25).
What are the key properties of N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methoxy-4-methylphenoxy)propanamide?
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methoxy-4-methylphenoxy)propanamide has a molecular weight of 406.91 g/mol, XLogP of 4.01, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methoxy-4-methylphenoxy)propanamide is sourced from PubChem (CID 86964008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).