3-(4-carbamoylanilino)-N-[2-(oxan-4-yl)ethyl]benzamide

C21H25N3O3 — CID 156755797

IUPAC3-(4-carbamoylanilino)-N-[2-(oxan-4-yl)ethyl]benzamide
SMILESNC(=O)c1ccc(Nc2cccc(C(=O)NCCC3CCOCC3)c2)cc1
InChIInChI=1S/C21H25N3O3/c22-20(25)16-4-6-18(7-5-16)24-19-3-1-2-17(14-19)21(26)23-11-8-15-9-12-27-13-10-15/h1-7,14-15,24H,8-13H2,(H2,22,25)(H,23,26)
InChIKeyDXSCGLKWZIPHIU-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.08
Rot. Bonds7

About 3-(4-carbamoylanilino)-N-[2-(oxan-4-yl)ethyl]benzamide

3-(4-carbamoylanilino)-N-[2-(oxan-4-yl)ethyl]benzamide (PubChem CID 156755797) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-(4-carbamoylanilino)-N-[2-(oxan-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(4-carbamoylanilino)-N-[2-(oxan-4-yl)ethyl]benzamide
PubChem CID156755797
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-(4-carbamoylanilino)-N-[2-(oxan-4-yl)ethyl]benzamide
SMILESNC(=O)c1ccc(Nc2cccc(C(=O)NCCC3CCOCC3)c2)cc1
InChIInChI=1S/C21H25N3O3/c22-20(25)16-4-6-18(7-5-16)24-19-3-1-2-17(14-19)21(26)23-11-8-15-9-12-27-13-10-15/h1-7,14-15,24H,8-13H2,(H2,22,25)(H,23,26)
InChIKeyDXSCGLKWZIPHIU-UHFFFAOYSA-N
XLogP3.08
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methylamino)-N-[2-(oxan-4-yl)ethyl]benzamide
CID 115160939
3-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4-[3-[2-(oxan-4-yl)ethylcarbamoyl]anilino]benzamide
CID 155586831
N-(2-cyclopropylethyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide
CID 146295793
N-[2-(oxolan-3-yl)ethyl]-3-sulfanylbenzamide
CID 114130501
N-(2-cyclohexylethyl)-3-(methylamino)benzamide
CID 115160938
N-[3-(2-cyclopentylethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42884229
4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 114131493
2-(hydroxymethyl)-N-[2-(oxan-4-yl)ethyl]pyridine-4-carboxamide
CID 115116142
3-bromo-N-(2-cyclohexylethyl)benzamide
CID 63524561
3-(carbamoylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534577
2-(oxan-4-yl)ethylurea
CID 68798130
N-ethyl-3-(oxan-4-ylamino)benzamide
CID 43680696

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamoylanilino)-N-[2-(oxan-4-yl)ethyl]benzamide?
The IUPAC name of 3-(4-carbamoylanilino)-N-[2-(oxan-4-yl)ethyl]benzamide (CID 156755797) is 3-(4-carbamoylanilino)-N-[2-(oxan-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-(4-carbamoylanilino)-N-[2-(oxan-4-yl)ethyl]benzamide?
The canonical SMILES for 3-(4-carbamoylanilino)-N-[2-(oxan-4-yl)ethyl]benzamide is NC(=O)c1ccc(Nc2cccc(C(=O)NCCC3CCOCC3)c2)cc1.
What is the InChIKey of 3-(4-carbamoylanilino)-N-[2-(oxan-4-yl)ethyl]benzamide?
The InChIKey is DXSCGLKWZIPHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c22-20(25)16-4-6-18(7-5-16)24-19-3-1-2-17(14-19)21(26)23-11-8-15-9-12-27-13-10-15/h1-7,14-15,24H,8-13H2,(H2,22,25)(H,23,26).
What are the key properties of 3-(4-carbamoylanilino)-N-[2-(oxan-4-yl)ethyl]benzamide?
3-(4-carbamoylanilino)-N-[2-(oxan-4-yl)ethyl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamoylanilino)-N-[2-(oxan-4-yl)ethyl]benzamide is sourced from PubChem (CID 156755797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).