3-(difluoromethoxy)-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-methoxybenzamide

C18H26F2N2O4 — CID 51953209

IUPAC3-(difluoromethoxy)-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)cc1OC(F)F
InChIInChI=1S/C18H26F2N2O4/c1-12-10-22(11-13(2)25-12)8-4-7-21-17(23)14-5-6-15(24-3)16(9-14)26-18(19)20/h5-6,9,12-13,18H,4,7-8,10-11H2,1-3H3,(H,21,23)/t12-,13-/m0/s1
InChIKeyDOUVLGINPQAKQP-STQMWFEESA-N
MW372.41 g/mol
LogP2.53
Rot. Bonds8

About 3-(difluoromethoxy)-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-methoxybenzamide

3-(difluoromethoxy)-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-methoxybenzamide (PubChem CID 51953209) has the molecular formula C18H26F2N2O4 and a molecular weight of 372.41 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-methoxybenzamide
PubChem CID51953209
Molecular FormulaC18H26F2N2O4
Molecular Weight372.41 g/mol
Exact Mass372.19
IUPAC Name3-(difluoromethoxy)-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)cc1OC(F)F
InChIInChI=1S/C18H26F2N2O4/c1-12-10-22(11-13(2)25-12)8-4-7-21-17(23)14-5-6-15(24-3)16(9-14)26-18(19)20/h5-6,9,12-13,18H,4,7-8,10-11H2,1-3H3,(H,21,23)/t12-,13-/m0/s1
InChIKeyDOUVLGINPQAKQP-STQMWFEESA-N
XLogP2.53
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(difluoromethoxy)-4-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119391951
5-[[3-(difluoromethoxy)-4-methoxybenzoyl]amino]pentanoic acid
CID 119234202
N-[2-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 55629295
N-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 119383172
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 55633946
3-(difluoromethoxy)-4-methoxy-N-(3-phenoxypropyl)benzamide
CID 55739120
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-hydroxybenzamide
CID 75451905
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-hydroxybenzamide
CID 97347364
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-1H-indole-5-carboxamide
CID 97024088
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide
CID 51725583
2-[2-[[3-(difluoromethoxy)-4-methoxybenzoyl]amino]ethylsulfanyl]acetic acid
CID 119241438

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-methoxybenzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-methoxybenzamide (CID 51953209) is 3-(difluoromethoxy)-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-methoxybenzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-methoxybenzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)cc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-methoxybenzamide?
The InChIKey is DOUVLGINPQAKQP-STQMWFEESA-N. The full InChI is InChI=1S/C18H26F2N2O4/c1-12-10-22(11-13(2)25-12)8-4-7-21-17(23)14-5-6-15(24-3)16(9-14)26-18(19)20/h5-6,9,12-13,18H,4,7-8,10-11H2,1-3H3,(H,21,23)/t12-,13-/m0/s1.
What are the key properties of 3-(difluoromethoxy)-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-methoxybenzamide?
3-(difluoromethoxy)-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-methoxybenzamide has a molecular weight of 372.41 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-methoxybenzamide is sourced from PubChem (CID 51953209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).