N-cyclopropyl-3-[[[(2R)-2,3-dihydroxypropyl]-methylcarbamoyl]amino]-4-methoxybenzamide

C16H23N3O5 — CID 97445237

IUPACN-cyclopropyl-3-[[[(2R)-2,3-dihydroxypropyl]-methylcarbamoyl]amino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC2)cc1NC(=O)N(C)C[C@@H](O)CO
InChIInChI=1S/C16H23N3O5/c1-19(8-12(21)9-20)16(23)18-13-7-10(3-6-14(13)24-2)15(22)17-11-4-5-11/h3,6-7,11-12,20-21H,4-5,8-9H2,1-2H3,(H,17,22)(H,18,23)/t12-/m1/s1
InChIKeyRWEJKXBGVLVGTG-GFCCVEGCSA-N
MW337.38 g/mol
LogP0.40
Rot. Bonds7

About N-cyclopropyl-3-[[[(2R)-2,3-dihydroxypropyl]-methylcarbamoyl]amino]-4-methoxybenzamide

N-cyclopropyl-3-[[[(2R)-2,3-dihydroxypropyl]-methylcarbamoyl]amino]-4-methoxybenzamide (PubChem CID 97445237) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-cyclopropyl-3-[[[(2R)-2,3-dihydroxypropyl]-methylcarbamoyl]amino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[[(2R)-2,3-dihydroxypropyl]-methylcarbamoyl]amino]-4-methoxybenzamide
PubChem CID97445237
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC NameN-cyclopropyl-3-[[[(2R)-2,3-dihydroxypropyl]-methylcarbamoyl]amino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC2)cc1NC(=O)N(C)C[C@@H](O)CO
InChIInChI=1S/C16H23N3O5/c1-19(8-12(21)9-20)16(23)18-13-7-10(3-6-14(13)24-2)15(22)17-11-4-5-11/h3,6-7,11-12,20-21H,4-5,8-9H2,1-2H3,(H,17,22)(H,18,23)/t12-/m1/s1
InChIKeyRWEJKXBGVLVGTG-GFCCVEGCSA-N
XLogP0.40
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-methoxy-3-(prop-2-ynylamino)benzamide
CID 171531137
3-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 60536487
N-cyclopropyl-3-ethyl-4-methoxybenzamide
CID 110761892
N-cyclopropyl-3-[[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methylbenzamide
CID 55898772
N-cyclopropyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzamide
CID 55897484
N-cyclopropyl-4-methoxy-3-[[(3R)-oxolan-3-yl]methylcarbamoylamino]benzamide
CID 125161688
N-cyclopropyl-4-methoxy-3-[[(1S)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide
CID 125156563
1-N-cyclopropyl-4-N-[(3,4-dimethoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 178070560
N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
CID 114309034
N-cyclopropyl-4-methoxy-3-[1-(6-methyl-2-pyridinyl)propan-2-ylcarbamoylamino]benzamide
CID 118786934
N-cyclopropyl-4-methoxy-3-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]carbamoylamino]benzamide
CID 125175368
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[[(2R)-2,3-dihydroxypropyl]-methylcarbamoyl]amino]-4-methoxybenzamide?
The IUPAC name of N-cyclopropyl-3-[[[(2R)-2,3-dihydroxypropyl]-methylcarbamoyl]amino]-4-methoxybenzamide (CID 97445237) is N-cyclopropyl-3-[[[(2R)-2,3-dihydroxypropyl]-methylcarbamoyl]amino]-4-methoxybenzamide.
What is the SMILES notation for N-cyclopropyl-3-[[[(2R)-2,3-dihydroxypropyl]-methylcarbamoyl]amino]-4-methoxybenzamide?
The canonical SMILES for N-cyclopropyl-3-[[[(2R)-2,3-dihydroxypropyl]-methylcarbamoyl]amino]-4-methoxybenzamide is COc1ccc(C(=O)NC2CC2)cc1NC(=O)N(C)C[C@@H](O)CO.
What is the InChIKey of N-cyclopropyl-3-[[[(2R)-2,3-dihydroxypropyl]-methylcarbamoyl]amino]-4-methoxybenzamide?
The InChIKey is RWEJKXBGVLVGTG-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-19(8-12(21)9-20)16(23)18-13-7-10(3-6-14(13)24-2)15(22)17-11-4-5-11/h3,6-7,11-12,20-21H,4-5,8-9H2,1-2H3,(H,17,22)(H,18,23)/t12-/m1/s1.
What are the key properties of N-cyclopropyl-3-[[[(2R)-2,3-dihydroxypropyl]-methylcarbamoyl]amino]-4-methoxybenzamide?
N-cyclopropyl-3-[[[(2R)-2,3-dihydroxypropyl]-methylcarbamoyl]amino]-4-methoxybenzamide has a molecular weight of 337.38 g/mol, XLogP of 0.40, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[[(2R)-2,3-dihydroxypropyl]-methylcarbamoyl]amino]-4-methoxybenzamide is sourced from PubChem (CID 97445237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).