(2R)-N-[3-(3-methylanilino)-3-oxopropyl]-1,4-dioxane-2-carboxamide

C15H20N2O4 — CID 95200054

IUPAC(2R)-N-[3-(3-methylanilino)-3-oxopropyl]-1,4-dioxane-2-carboxamide
SMILESCc1cccc(NC(=O)CCNC(=O)[C@H]2COCCO2)c1
InChIInChI=1S/C15H20N2O4/c1-11-3-2-4-12(9-11)17-14(18)5-6-16-15(19)13-10-20-7-8-21-13/h2-4,9,13H,5-8,10H2,1H3,(H,16,19)(H,17,18)/t13-/m1/s1
InChIKeyNGVABHLOJWVICA-CYBMUJFWSA-N
MW292.33 g/mol
LogP0.86
Rot. Bonds5

About (2R)-N-[3-(3-methylanilino)-3-oxopropyl]-1,4-dioxane-2-carboxamide

(2R)-N-[3-(3-methylanilino)-3-oxopropyl]-1,4-dioxane-2-carboxamide (PubChem CID 95200054) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is (2R)-N-[3-(3-methylanilino)-3-oxopropyl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(3-methylanilino)-3-oxopropyl]-1,4-dioxane-2-carboxamide
PubChem CID95200054
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name(2R)-N-[3-(3-methylanilino)-3-oxopropyl]-1,4-dioxane-2-carboxamide
SMILESCc1cccc(NC(=O)CCNC(=O)[C@H]2COCCO2)c1
InChIInChI=1S/C15H20N2O4/c1-11-3-2-4-12(9-11)17-14(18)5-6-16-15(19)13-10-20-7-8-21-13/h2-4,9,13H,5-8,10H2,1H3,(H,16,19)(H,17,18)/t13-/m1/s1
InChIKeyNGVABHLOJWVICA-CYBMUJFWSA-N
XLogP0.86
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(3-methylphenyl)propanamide
CID 47097671
6-methyl-N-[3-(3-methylanilino)-3-oxopropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 131935086
N-[3-(methylaminomethyl)phenyl]-1,4-dioxane-2-carboxamide
CID 43662818
(2R)-2-[[[(2R)-1,4-dioxane-2-carbonyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 125153012
(2S)-N-phenyl-1,4-dioxane-2-carboxamide
CID 39885866
N-(3-amino-4-methylphenyl)-1,4-dioxane-2-carboxamide
CID 55110602
N-[3-(3-methylanilino)-3-oxopropyl]-1,2-oxazole-5-carboxamide
CID 131915937
3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide
CID 109034228
1-benzyl-N-[3-(3-methylanilino)-3-oxopropyl]piperidine-2-carboxamide
CID 131905339
3-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-(3-methylphenyl)propanamide
CID 131901508
3-(4-bromoanilino)-N-(3-methylphenyl)propanamide
CID 109034162
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(3-methylanilino)-3-oxopropyl]-1,4-dioxane-2-carboxamide?
The IUPAC name of (2R)-N-[3-(3-methylanilino)-3-oxopropyl]-1,4-dioxane-2-carboxamide (CID 95200054) is (2R)-N-[3-(3-methylanilino)-3-oxopropyl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-(3-methylanilino)-3-oxopropyl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-(3-methylanilino)-3-oxopropyl]-1,4-dioxane-2-carboxamide is Cc1cccc(NC(=O)CCNC(=O)[C@H]2COCCO2)c1.
What is the InChIKey of (2R)-N-[3-(3-methylanilino)-3-oxopropyl]-1,4-dioxane-2-carboxamide?
The InChIKey is NGVABHLOJWVICA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-11-3-2-4-12(9-11)17-14(18)5-6-16-15(19)13-10-20-7-8-21-13/h2-4,9,13H,5-8,10H2,1H3,(H,16,19)(H,17,18)/t13-/m1/s1.
What are the key properties of (2R)-N-[3-(3-methylanilino)-3-oxopropyl]-1,4-dioxane-2-carboxamide?
(2R)-N-[3-(3-methylanilino)-3-oxopropyl]-1,4-dioxane-2-carboxamide has a molecular weight of 292.33 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(3-methylanilino)-3-oxopropyl]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 95200054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).