N-cyclopropyl-3-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]amino]-4-methylbenzamide

C24H29N3O5 — CID 55786328

IUPACN-cyclopropyl-3-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]amino]-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C24H29N3O5/c1-14(2)25-22(28)13-32-20-10-7-17(12-21(20)31-4)24(30)27-19-11-16(6-5-15(19)3)23(29)26-18-8-9-18/h5-7,10-12,14,18H,8-9,13H2,1-4H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyRMESGNAESVQYNV-UHFFFAOYSA-N
MW439.51 g/mol
LogP3.05
Rot. Bonds9

About N-cyclopropyl-3-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]amino]-4-methylbenzamide

N-cyclopropyl-3-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]amino]-4-methylbenzamide (PubChem CID 55786328) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is N-cyclopropyl-3-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]amino]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]amino]-4-methylbenzamide
PubChem CID55786328
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC NameN-cyclopropyl-3-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]amino]-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C24H29N3O5/c1-14(2)25-22(28)13-32-20-10-7-17(12-21(20)31-4)24(30)27-19-11-16(6-5-15(19)3)23(29)26-18-8-9-18/h5-7,10-12,14,18H,8-9,13H2,1-4H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyRMESGNAESVQYNV-UHFFFAOYSA-N
XLogP3.05
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-3-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]amino]-4-methylbenzamide with MolForge

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Related Compounds

N-(4-aminocyclohexyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide;hydrochloride
CID 119478225
N-(4-bromo-2-methylphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55770873
N-cyclopropyl-3-[[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]amino]-4-methylbenzamide
CID 11419031
2-[4-(hydrazinecarbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 167446840
N-cyclohexyl-4-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-methylbenzamide
CID 55992962
ethene;3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 167446651
N-(4-bromophenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 46486629
N-(2-butoxy-5-methoxyphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55777600
3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 51958121
N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide
CID 47308191
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120507137
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]amino]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]amino]-4-methylbenzamide (CID 55786328) is N-cyclopropyl-3-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]amino]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]amino]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]amino]-4-methylbenzamide is COc1cc(C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)ccc1OCC(=O)NC(C)C.
What is the InChIKey of N-cyclopropyl-3-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]amino]-4-methylbenzamide?
The InChIKey is RMESGNAESVQYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-14(2)25-22(28)13-32-20-10-7-17(12-21(20)31-4)24(30)27-19-11-16(6-5-15(19)3)23(29)26-18-8-9-18/h5-7,10-12,14,18H,8-9,13H2,1-4H3,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of N-cyclopropyl-3-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]amino]-4-methylbenzamide?
N-cyclopropyl-3-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]amino]-4-methylbenzamide has a molecular weight of 439.51 g/mol, XLogP of 3.05, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]amino]-4-methylbenzamide is sourced from PubChem (CID 55786328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).