3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide

C22H29N3O3 — CID 54833609

IUPAC3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)COc1ccccc1NC(=O)CNc1cccc(C(=O)NC(C)C)c1
InChIInChI=1S/C22H29N3O3/c1-15(2)14-28-20-11-6-5-10-19(20)25-21(26)13-23-18-9-7-8-17(12-18)22(27)24-16(3)4/h5-12,15-16,23H,13-14H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyDZEJQURTAVGFFW-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.91
Rot. Bonds9

About 3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide

3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide (PubChem CID 54833609) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
PubChem CID54833609
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)COc1ccccc1NC(=O)CNc1cccc(C(=O)NC(C)C)c1
InChIInChI=1S/C22H29N3O3/c1-15(2)14-28-20-11-6-5-10-19(20)25-21(26)13-23-18-9-7-8-17(12-18)22(27)24-16(3)4/h5-12,15-16,23H,13-14H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyDZEJQURTAVGFFW-UHFFFAOYSA-N
XLogP3.91
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54835273
N-cyclohexyl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54831126
2-methyl-N-[3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54831517
2-(3,4-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54811574
N-[2-(2-methylpropoxy)phenyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide
CID 54836401
3-[[2-(2-phenylmethoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54827989
N-propan-2-yl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824529
N-(2-methoxyphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
CID 54823826
4-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846111
2-(3,5-dichloroanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54813306
3-[[2-(naphthalen-1-ylamino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54809027
3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833731

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide (CID 54833609) is 3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide is CC(C)COc1ccccc1NC(=O)CNc1cccc(C(=O)NC(C)C)c1.
What is the InChIKey of 3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is DZEJQURTAVGFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15(2)14-28-20-11-6-5-10-19(20)25-21(26)13-23-18-9-7-8-17(12-18)22(27)24-16(3)4/h5-12,15-16,23H,13-14H2,1-4H3,(H,24,27)(H,25,26).
What are the key properties of 3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 383.49 g/mol, XLogP of 3.91, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 54833609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).