N-tert-butyl-2-(2-phenoxypropanoylamino)benzamide

C20H24N2O3 — CID 4939976

IUPACN-tert-butyl-2-(2-phenoxypropanoylamino)benzamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C
InChIInChI=1S/C20H24N2O3/c1-14(25-15-10-6-5-7-11-15)18(23)21-17-13-9-8-12-16(17)19(24)22-20(2,3)4/h5-14H,1-4H3,(H,21,23)(H,22,24)
InChIKeyHAYJZFOWIFOHIG-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.62
Rot. Bonds5

About N-tert-butyl-2-(2-phenoxypropanoylamino)benzamide

N-tert-butyl-2-(2-phenoxypropanoylamino)benzamide (PubChem CID 4939976) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-tert-butyl-2-(2-phenoxypropanoylamino)benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-phenoxypropanoylamino)benzamide
PubChem CID4939976
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-tert-butyl-2-(2-phenoxypropanoylamino)benzamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C
InChIInChI=1S/C20H24N2O3/c1-14(25-15-10-6-5-7-11-15)18(23)21-17-13-9-8-12-16(17)19(24)22-20(2,3)4/h5-14H,1-4H3,(H,21,23)(H,22,24)
InChIKeyHAYJZFOWIFOHIG-UHFFFAOYSA-N
XLogP3.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-phenoxypropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 29448293
N-tert-butyl-2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzamide
CID 92683729
2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 1336329
N-(4-anilinophenyl)-2-(2-phenoxypropanoylamino)benzamide
CID 4942074
N-(4-fluorophenyl)-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7312062
N-benzyl-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7369012
2-[[(2S)-2-aminopropanoyl]amino]-N-tert-butylbenzamide
CID 119280561
2-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide
CID 4939967
2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 26242811
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 42426832
N-(3,4-dimethylphenyl)-2-(2-phenoxypropanoylamino)benzamide
CID 4944520
N-(2-benzoylphenyl)-2-(4-tert-butylphenoxy)propanamide
CID 132661546

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-phenoxypropanoylamino)benzamide?
The IUPAC name of N-tert-butyl-2-(2-phenoxypropanoylamino)benzamide (CID 4939976) is N-tert-butyl-2-(2-phenoxypropanoylamino)benzamide.
What is the SMILES notation for N-tert-butyl-2-(2-phenoxypropanoylamino)benzamide?
The canonical SMILES for N-tert-butyl-2-(2-phenoxypropanoylamino)benzamide is CC(Oc1ccccc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2-phenoxypropanoylamino)benzamide?
The InChIKey is HAYJZFOWIFOHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14(25-15-10-6-5-7-11-15)18(23)21-17-13-9-8-12-16(17)19(24)22-20(2,3)4/h5-14H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-tert-butyl-2-(2-phenoxypropanoylamino)benzamide?
N-tert-butyl-2-(2-phenoxypropanoylamino)benzamide has a molecular weight of 340.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-phenoxypropanoylamino)benzamide is sourced from PubChem (CID 4939976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).