N-(2-methylpropyl)-2-[2-(2-propan-2-ylphenoxy)propanoylamino]benzamide

C23H30N2O3 — CID 43875587

IUPACN-(2-methylpropyl)-2-[2-(2-propan-2-ylphenoxy)propanoylamino]benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)C(C)Oc1ccccc1C(C)C
InChIInChI=1S/C23H30N2O3/c1-15(2)14-24-23(27)19-11-6-8-12-20(19)25-22(26)17(5)28-21-13-9-7-10-18(21)16(3)4/h6-13,15-17H,14H2,1-5H3,(H,24,27)(H,25,26)
InChIKeyDPPHGIDRLFKGHL-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.60
Rot. Bonds8

About N-(2-methylpropyl)-2-[2-(2-propan-2-ylphenoxy)propanoylamino]benzamide

N-(2-methylpropyl)-2-[2-(2-propan-2-ylphenoxy)propanoylamino]benzamide (PubChem CID 43875587) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[2-(2-propan-2-ylphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[2-(2-propan-2-ylphenoxy)propanoylamino]benzamide
PubChem CID43875587
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-(2-methylpropyl)-2-[2-(2-propan-2-ylphenoxy)propanoylamino]benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)C(C)Oc1ccccc1C(C)C
InChIInChI=1S/C23H30N2O3/c1-15(2)14-24-23(27)19-11-6-8-12-20(19)25-22(26)17(5)28-21-13-9-7-10-18(21)16(3)4/h6-13,15-17H,14H2,1-5H3,(H,24,27)(H,25,26)
InChIKeyDPPHGIDRLFKGHL-UHFFFAOYSA-N
XLogP4.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636193
(2S)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636194
2-[[(2S)-2-(2-propan-2-ylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 94016159
ethyl 2-[[(2S)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate
CID 93487292
ethyl 2-[[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate
CID 93487291
N-[[(2S)-oxolan-2-yl]methyl]-2-[[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzamide
CID 30393276
2-[(2-ethoxybenzoyl)amino]-N-(2-methylpropyl)benzamide
CID 37003750
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylpropyl)propanamide
CID 78931758
2-[(2,2-diphenylacetyl)amino]-N-(2-methylpropyl)benzamide
CID 1369721
(2R)-N-ethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 92685149
2-(2-propan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 46769245
N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108923561

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[2-(2-propan-2-ylphenoxy)propanoylamino]benzamide?
The IUPAC name of N-(2-methylpropyl)-2-[2-(2-propan-2-ylphenoxy)propanoylamino]benzamide (CID 43875587) is N-(2-methylpropyl)-2-[2-(2-propan-2-ylphenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[2-(2-propan-2-ylphenoxy)propanoylamino]benzamide?
The canonical SMILES for N-(2-methylpropyl)-2-[2-(2-propan-2-ylphenoxy)propanoylamino]benzamide is CC(C)CNC(=O)c1ccccc1NC(=O)C(C)Oc1ccccc1C(C)C.
What is the InChIKey of N-(2-methylpropyl)-2-[2-(2-propan-2-ylphenoxy)propanoylamino]benzamide?
The InChIKey is DPPHGIDRLFKGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-15(2)14-24-23(27)19-11-6-8-12-20(19)25-22(26)17(5)28-21-13-9-7-10-18(21)16(3)4/h6-13,15-17H,14H2,1-5H3,(H,24,27)(H,25,26).
What are the key properties of N-(2-methylpropyl)-2-[2-(2-propan-2-ylphenoxy)propanoylamino]benzamide?
N-(2-methylpropyl)-2-[2-(2-propan-2-ylphenoxy)propanoylamino]benzamide has a molecular weight of 382.50 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[2-(2-propan-2-ylphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 43875587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).