N-butan-2-yl-2-[2-(3-methoxyphenoxy)propanoylamino]benzamide

C21H26N2O4 — CID 43877103

IUPACN-butan-2-yl-2-[2-(3-methoxyphenoxy)propanoylamino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)C(C)Oc1cccc(OC)c1
InChIInChI=1S/C21H26N2O4/c1-5-14(2)22-21(25)18-11-6-7-12-19(18)23-20(24)15(3)27-17-10-8-9-16(13-17)26-4/h6-15H,5H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyVPTGONRTJBIYTP-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.63
Rot. Bonds8

About N-butan-2-yl-2-[2-(3-methoxyphenoxy)propanoylamino]benzamide

N-butan-2-yl-2-[2-(3-methoxyphenoxy)propanoylamino]benzamide (PubChem CID 43877103) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-butan-2-yl-2-[2-(3-methoxyphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[2-(3-methoxyphenoxy)propanoylamino]benzamide
PubChem CID43877103
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-butan-2-yl-2-[2-(3-methoxyphenoxy)propanoylamino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)C(C)Oc1cccc(OC)c1
InChIInChI=1S/C21H26N2O4/c1-5-14(2)22-21(25)18-11-6-7-12-19(18)23-20(24)15(3)27-17-10-8-9-16(13-17)26-4/h6-15H,5H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyVPTGONRTJBIYTP-UHFFFAOYSA-N
XLogP3.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzamide
CID 26074772
N-butan-2-yl-2-[(3-methoxybenzoyl)amino]benzamide
CID 17417921
N-[(2R)-butan-2-yl]-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
CID 94592415
N-butan-2-yl-2-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide
CID 17151271
N-[(2S)-butan-2-yl]-2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide
CID 9173023
N-butan-2-yl-2-[2-(3-chlorophenoxy)butanoylamino]benzamide
CID 46772085
2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-propan-2-ylbenzamide
CID 60552955
2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 19203871
(2R)-2-(3-methoxyphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 28637146
2-[2-(3-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 43909267
(2R)-N-(2-bromophenyl)-2-(3-methoxyphenoxy)propanamide
CID 92673477
(2S)-N-(2-bromophenyl)-2-(3-methoxyphenoxy)propanamide
CID 92673476

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2-(3-methoxyphenoxy)propanoylamino]benzamide?
The IUPAC name of N-butan-2-yl-2-[2-(3-methoxyphenoxy)propanoylamino]benzamide (CID 43877103) is N-butan-2-yl-2-[2-(3-methoxyphenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[2-(3-methoxyphenoxy)propanoylamino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[2-(3-methoxyphenoxy)propanoylamino]benzamide is CCC(C)NC(=O)c1ccccc1NC(=O)C(C)Oc1cccc(OC)c1.
What is the InChIKey of N-butan-2-yl-2-[2-(3-methoxyphenoxy)propanoylamino]benzamide?
The InChIKey is VPTGONRTJBIYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-5-14(2)22-21(25)18-11-6-7-12-19(18)23-20(24)15(3)27-17-10-8-9-16(13-17)26-4/h6-15H,5H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-butan-2-yl-2-[2-(3-methoxyphenoxy)propanoylamino]benzamide?
N-butan-2-yl-2-[2-(3-methoxyphenoxy)propanoylamino]benzamide has a molecular weight of 370.45 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[2-(3-methoxyphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 43877103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).