N-(1-adamantylmethyl)-2-chloro-5-[2-(dimethylamino)ethoxy]benzamide

C22H31ClN2O2 — CID 20670038

IUPACN-(1-adamantylmethyl)-2-chloro-5-[2-(dimethylamino)ethoxy]benzamide
SMILESCN(C)CCOc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C22H31ClN2O2/c1-25(2)5-6-27-18-3-4-20(23)19(10-18)21(26)24-14-22-11-15-7-16(12-22)9-17(8-15)13-22/h3-4,10,15-17H,5-9,11-14H2,1-2H3,(H,24,26)
InChIKeySBVHROPQVDCLGJ-UHFFFAOYSA-N
MW390.96 g/mol
LogP4.23
Rot. Bonds7

About N-(1-adamantylmethyl)-2-chloro-5-[2-(dimethylamino)ethoxy]benzamide

N-(1-adamantylmethyl)-2-chloro-5-[2-(dimethylamino)ethoxy]benzamide (PubChem CID 20670038) has the molecular formula C22H31ClN2O2 and a molecular weight of 390.96 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-chloro-5-[2-(dimethylamino)ethoxy]benzamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-chloro-5-[2-(dimethylamino)ethoxy]benzamide
PubChem CID20670038
Molecular FormulaC22H31ClN2O2
Molecular Weight390.96 g/mol
Exact Mass390.21
IUPAC NameN-(1-adamantylmethyl)-2-chloro-5-[2-(dimethylamino)ethoxy]benzamide
SMILESCN(C)CCOc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C22H31ClN2O2/c1-25(2)5-6-27-18-3-4-20(23)19(10-18)21(26)24-14-22-11-15-7-16(12-22)9-17(8-15)13-22/h3-4,10,15-17H,5-9,11-14H2,1-2H3,(H,24,26)
InChIKeySBVHROPQVDCLGJ-UHFFFAOYSA-N
XLogP4.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.96
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantylmethyl)-5-[2-(2-aminoethylsulfanyl)ethoxy]-2-chlorobenzamide;hydrochloride
CID 10276272
N-(1-adamantylmethyl)-2-chloro-5-(2-piperidin-4-ylethoxy)benzamide
CID 18336920
N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylsulfinyl)propoxy]benzamide
CID 10183534
N-(1-adamantylmethyl)-5-[2-(2-aminoethylsulfonyl)ethoxy]-2-chlorobenzamide
CID 10228276
N-(1-adamantylmethyl)-5-[2-(2-aminoethylsulfonyl)ethoxy]-2-chlorobenzamide;hydrochloride
CID 10228275
N-(1-adamantylmethyl)-2-chloro-5-(methylamino)benzamide
CID 20670042
3-(1-adamantylmethylcarbamoyl)-4-chlorobenzoic acid
CID 18381486
N-(1-adamantylmethyl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 7921336
N-(1-bicyclo[3.3.1]nonanylmethyl)-2-chloro-5-[2-(3-hydroxypropylsulfonyl)ethoxy]benzamide
CID 87612647
2-chloro-5-[3-(dimethylamino)propyl]-N-(1-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)benzamide
CID 20776193
2-[2-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]phenoxy]acetic acid
CID 11669656
N-(1-adamantylmethyl)-2-chloro-5-[3-(prop-2-enylamino)propyl]benzamide
CID 10222654

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-chloro-5-[2-(dimethylamino)ethoxy]benzamide?
The IUPAC name of N-(1-adamantylmethyl)-2-chloro-5-[2-(dimethylamino)ethoxy]benzamide (CID 20670038) is N-(1-adamantylmethyl)-2-chloro-5-[2-(dimethylamino)ethoxy]benzamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-chloro-5-[2-(dimethylamino)ethoxy]benzamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-chloro-5-[2-(dimethylamino)ethoxy]benzamide is CN(C)CCOc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-(1-adamantylmethyl)-2-chloro-5-[2-(dimethylamino)ethoxy]benzamide?
The InChIKey is SBVHROPQVDCLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31ClN2O2/c1-25(2)5-6-27-18-3-4-20(23)19(10-18)21(26)24-14-22-11-15-7-16(12-22)9-17(8-15)13-22/h3-4,10,15-17H,5-9,11-14H2,1-2H3,(H,24,26).
What are the key properties of N-(1-adamantylmethyl)-2-chloro-5-[2-(dimethylamino)ethoxy]benzamide?
N-(1-adamantylmethyl)-2-chloro-5-[2-(dimethylamino)ethoxy]benzamide has a molecular weight of 390.96 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-chloro-5-[2-(dimethylamino)ethoxy]benzamide is sourced from PubChem (CID 20670038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).