2-(N-[2-(dimethylamino)-2-oxoethyl]anilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

C22H29N3O3 — CID 125419031

IUPAC2-(N-[2-(dimethylamino)-2-oxoethyl]anilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCC(C)Oc1ccc(CNC(=O)CN(CC(=O)N(C)C)c2ccccc2)cc1
InChIInChI=1S/C22H29N3O3/c1-17(2)28-20-12-10-18(11-13-20)14-23-21(26)15-25(16-22(27)24(3)4)19-8-6-5-7-9-19/h5-13,17H,14-16H2,1-4H3,(H,23,26)
InChIKeyJPSJPYOCUNQBGY-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.68
Rot. Bonds9

About 2-(N-[2-(dimethylamino)-2-oxoethyl]anilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

2-(N-[2-(dimethylamino)-2-oxoethyl]anilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 125419031) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-(N-[2-(dimethylamino)-2-oxoethyl]anilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-[2-(dimethylamino)-2-oxoethyl]anilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID125419031
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name2-(N-[2-(dimethylamino)-2-oxoethyl]anilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCC(C)Oc1ccc(CNC(=O)CN(CC(=O)N(C)C)c2ccccc2)cc1
InChIInChI=1S/C22H29N3O3/c1-17(2)28-20-12-10-18(11-13-20)14-23-21(26)15-25(16-22(27)24(3)4)19-8-6-5-7-9-19/h5-13,17H,14-16H2,1-4H3,(H,23,26)
InChIKeyJPSJPYOCUNQBGY-UHFFFAOYSA-N
XLogP2.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(4-methoxyphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28634203
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633501
2-[benzyl(methylsulfonyl)amino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 100751066
2-(N-(4-fluorophenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 46771883
2-phenylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43909294
(2R)-2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 93234508
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 30400747
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 92679875
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 43911069
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135
2-(N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 46772863
2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]anilino)acetic acid
CID 25219996

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(dimethylamino)-2-oxoethyl]anilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-(N-[2-(dimethylamino)-2-oxoethyl]anilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (CID 125419031) is 2-(N-[2-(dimethylamino)-2-oxoethyl]anilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-[2-(dimethylamino)-2-oxoethyl]anilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(N-[2-(dimethylamino)-2-oxoethyl]anilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is CC(C)Oc1ccc(CNC(=O)CN(CC(=O)N(C)C)c2ccccc2)cc1.
What is the InChIKey of 2-(N-[2-(dimethylamino)-2-oxoethyl]anilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is JPSJPYOCUNQBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-17(2)28-20-12-10-18(11-13-20)14-23-21(26)15-25(16-22(27)24(3)4)19-8-6-5-7-9-19/h5-13,17H,14-16H2,1-4H3,(H,23,26).
What are the key properties of 2-(N-[2-(dimethylamino)-2-oxoethyl]anilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
2-(N-[2-(dimethylamino)-2-oxoethyl]anilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 383.49 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(dimethylamino)-2-oxoethyl]anilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 125419031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).