2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide

C21H26N2O3 — CID 17140344

IUPAC2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1cccc(OCC(C)C)c1
InChIInChI=1S/C21H26N2O3/c1-4-12-22-21(25)18-10-5-6-11-19(18)23-20(24)16-8-7-9-17(13-16)26-14-15(2)3/h5-11,13,15H,4,12,14H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyFXWYGLMJWIAVOH-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.11
Rot. Bonds8

About 2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide

2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide (PubChem CID 17140344) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide
PubChem CID17140344
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1cccc(OCC(C)C)c1
InChIInChI=1S/C21H26N2O3/c1-4-12-22-21(25)18-10-5-6-11-19(18)23-20(24)16-8-7-9-17(13-16)26-14-15(2)3/h5-11,13,15H,4,12,14H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyFXWYGLMJWIAVOH-UHFFFAOYSA-N
XLogP4.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17140330
N-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17149439
N-(4-anilinophenyl)-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17140337
2-[(3-fluorobenzoyl)amino]-N-propylbenzamide
CID 8002041
2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-propylbenzamide
CID 29409481
N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide
CID 959928
2-[(3-butoxybenzoyl)amino]-N-ethylbenzamide
CID 4956581
3-butoxy-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074307
N-[2-(ethylaminomethyl)phenyl]-3-(2-methylpropoxy)benzamide;hydrochloride
CID 119439604
5-bromo-2-(2-methylpropoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 17050842
N-[2-(propylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 8750851
N-(3-methoxypropyl)-2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17148342

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide?
The IUPAC name of 2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide (CID 17140344) is 2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide.
What is the SMILES notation for 2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide?
The canonical SMILES for 2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NC(=O)c1cccc(OCC(C)C)c1.
What is the InChIKey of 2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide?
The InChIKey is FXWYGLMJWIAVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-12-22-21(25)18-10-5-6-11-19(18)23-20(24)16-8-7-9-17(13-16)26-14-15(2)3/h5-11,13,15H,4,12,14H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide?
2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide is sourced from PubChem (CID 17140344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).