(2-methoxy-6-methylphenyl)-[2-(4-methylpentyl)morpholin-4-yl]methanone

C19H29NO3 — CID 56875364

IUPAC(2-methoxy-6-methylphenyl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
SMILESCOc1cccc(C)c1C(=O)N1CCOC(CCCC(C)C)C1
InChIInChI=1S/C19H29NO3/c1-14(2)7-5-9-16-13-20(11-12-23-16)19(21)18-15(3)8-6-10-17(18)22-4/h6,8,10,14,16H,5,7,9,11-13H2,1-4H3
InChIKeyROCAQBFVZLDMQQ-UHFFFAOYSA-N
MW319.44 g/mol
LogP3.67
Rot. Bonds6

About (2-methoxy-6-methylphenyl)-[2-(4-methylpentyl)morpholin-4-yl]methanone

(2-methoxy-6-methylphenyl)-[2-(4-methylpentyl)morpholin-4-yl]methanone (PubChem CID 56875364) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is (2-methoxy-6-methylphenyl)-[2-(4-methylpentyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-methoxy-6-methylphenyl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
PubChem CID56875364
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name(2-methoxy-6-methylphenyl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
SMILESCOc1cccc(C)c1C(=O)N1CCOC(CCCC(C)C)C1
InChIInChI=1S/C19H29NO3/c1-14(2)7-5-9-16-13-20(11-12-23-16)19(21)18-15(3)8-6-10-17(18)22-4/h6,8,10,14,16H,5,7,9,11-13H2,1-4H3
InChIKeyROCAQBFVZLDMQQ-UHFFFAOYSA-N
XLogP3.67
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methoxyfuran-2-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
CID 45182494
2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
(2,5-dimethylphenyl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
CID 95556503
(2-methoxy-6-methylphenyl)-morpholin-4-ylmethanone
CID 131909764
[2-(chloromethyl)morpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 81211064
2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid
CID 66435743
3-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one
CID 95554707
2-methyl-1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]propan-1-one
CID 95225161
(2-methoxy-6-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97117578
[(2R)-2-(4-methylpentyl)morpholin-4-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 95558114
[2-(4-methylpentyl)morpholin-4-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 56878736
2H-benzotriazol-5-yl-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
CID 42519260

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-6-methylphenyl)-[2-(4-methylpentyl)morpholin-4-yl]methanone?
The IUPAC name of (2-methoxy-6-methylphenyl)-[2-(4-methylpentyl)morpholin-4-yl]methanone (CID 56875364) is (2-methoxy-6-methylphenyl)-[2-(4-methylpentyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-methoxy-6-methylphenyl)-[2-(4-methylpentyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-methoxy-6-methylphenyl)-[2-(4-methylpentyl)morpholin-4-yl]methanone is COc1cccc(C)c1C(=O)N1CCOC(CCCC(C)C)C1.
What is the InChIKey of (2-methoxy-6-methylphenyl)-[2-(4-methylpentyl)morpholin-4-yl]methanone?
The InChIKey is ROCAQBFVZLDMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-14(2)7-5-9-16-13-20(11-12-23-16)19(21)18-15(3)8-6-10-17(18)22-4/h6,8,10,14,16H,5,7,9,11-13H2,1-4H3.
What are the key properties of (2-methoxy-6-methylphenyl)-[2-(4-methylpentyl)morpholin-4-yl]methanone?
(2-methoxy-6-methylphenyl)-[2-(4-methylpentyl)morpholin-4-yl]methanone has a molecular weight of 319.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-6-methylphenyl)-[2-(4-methylpentyl)morpholin-4-yl]methanone is sourced from PubChem (CID 56875364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).