(6R)-4-N-[1-(3,5-dimethylphenyl)propan-2-yl]-6-methylmorpholine-2,4-dicarboxamide

C18H27N3O3 — CID 122137895

IUPAC(6R)-4-N-[1-(3,5-dimethylphenyl)propan-2-yl]-6-methylmorpholine-2,4-dicarboxamide
SMILESCc1cc(C)cc(CC(C)NC(=O)N2CC(C(N)=O)O[C@H](C)C2)c1
InChIInChI=1S/C18H27N3O3/c1-11-5-12(2)7-15(6-11)8-13(3)20-18(23)21-9-14(4)24-16(10-21)17(19)22/h5-7,13-14,16H,8-10H2,1-4H3,(H2,19,22)(H,20,23)/t13?,14-,16?/m1/s1
InChIKeyRDYGKPSPVYTANE-NPCAHTBFSA-N
MW333.43 g/mol
LogP1.52
Rot. Bonds4

About (6R)-4-N-[1-(3,5-dimethylphenyl)propan-2-yl]-6-methylmorpholine-2,4-dicarboxamide

(6R)-4-N-[1-(3,5-dimethylphenyl)propan-2-yl]-6-methylmorpholine-2,4-dicarboxamide (PubChem CID 122137895) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (6R)-4-N-[1-(3,5-dimethylphenyl)propan-2-yl]-6-methylmorpholine-2,4-dicarboxamide.

Molecular Properties

Compound Name(6R)-4-N-[1-(3,5-dimethylphenyl)propan-2-yl]-6-methylmorpholine-2,4-dicarboxamide
PubChem CID122137895
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(6R)-4-N-[1-(3,5-dimethylphenyl)propan-2-yl]-6-methylmorpholine-2,4-dicarboxamide
SMILESCc1cc(C)cc(CC(C)NC(=O)N2CC(C(N)=O)O[C@H](C)C2)c1
InChIInChI=1S/C18H27N3O3/c1-11-5-12(2)7-15(6-11)8-13(3)20-18(23)21-9-14(4)24-16(10-21)17(19)22/h5-7,13-14,16H,8-10H2,1-4H3,(H2,19,22)(H,20,23)/t13?,14-,16?/m1/s1
InChIKeyRDYGKPSPVYTANE-NPCAHTBFSA-N
XLogP1.52
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6R)-4-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-6-methylmorpholine-2,4-dicarboxamide
CID 125131288
N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111508473
N-[(2S)-1-(3,5-dimethylphenyl)propan-2-yl]-4-methoxypiperidine-1-carboxamide
CID 95975963
(2S,6R)-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-2-methyl-6-phenylmorpholine-4-carboxamide
CID 98786627
(2R,6R)-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-2-methyl-6-phenylmorpholine-4-carboxamide
CID 98786628
(2R)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]propanamide
CID 119336726
N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 122142633
methyl (2S)-2-[[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]propanoate
CID 941681
N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methoxyacetamide
CID 71998958
(2S)-5-amino-2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-5-oxopentanoic acid
CID 104959619
2-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-(3-hydroxyphenyl)propanoic acid
CID 166279336
methyl (2S,3R)-2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-methylpentanoate
CID 946677

Frequently Asked Questions

What is the IUPAC name of (6R)-4-N-[1-(3,5-dimethylphenyl)propan-2-yl]-6-methylmorpholine-2,4-dicarboxamide?
The IUPAC name of (6R)-4-N-[1-(3,5-dimethylphenyl)propan-2-yl]-6-methylmorpholine-2,4-dicarboxamide (CID 122137895) is (6R)-4-N-[1-(3,5-dimethylphenyl)propan-2-yl]-6-methylmorpholine-2,4-dicarboxamide.
What is the SMILES notation for (6R)-4-N-[1-(3,5-dimethylphenyl)propan-2-yl]-6-methylmorpholine-2,4-dicarboxamide?
The canonical SMILES for (6R)-4-N-[1-(3,5-dimethylphenyl)propan-2-yl]-6-methylmorpholine-2,4-dicarboxamide is Cc1cc(C)cc(CC(C)NC(=O)N2CC(C(N)=O)O[C@H](C)C2)c1.
What is the InChIKey of (6R)-4-N-[1-(3,5-dimethylphenyl)propan-2-yl]-6-methylmorpholine-2,4-dicarboxamide?
The InChIKey is RDYGKPSPVYTANE-NPCAHTBFSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-11-5-12(2)7-15(6-11)8-13(3)20-18(23)21-9-14(4)24-16(10-21)17(19)22/h5-7,13-14,16H,8-10H2,1-4H3,(H2,19,22)(H,20,23)/t13?,14-,16?/m1/s1.
What are the key properties of (6R)-4-N-[1-(3,5-dimethylphenyl)propan-2-yl]-6-methylmorpholine-2,4-dicarboxamide?
(6R)-4-N-[1-(3,5-dimethylphenyl)propan-2-yl]-6-methylmorpholine-2,4-dicarboxamide has a molecular weight of 333.43 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-N-[1-(3,5-dimethylphenyl)propan-2-yl]-6-methylmorpholine-2,4-dicarboxamide is sourced from PubChem (CID 122137895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).