N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylbenzamide

C24H32N2O3 — CID 133186522

IUPACN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylbenzamide
SMILESCOc1cc(C)c(C(C)NC(=O)c2ccc(N3CCOCC3)cc2)cc1C(C)C
InChIInChI=1S/C24H32N2O3/c1-16(2)21-15-22(17(3)14-23(21)28-5)18(4)25-24(27)19-6-8-20(9-7-19)26-10-12-29-13-11-26/h6-9,14-16,18H,10-13H2,1-5H3,(H,25,27)
InChIKeyLJZHNMCRQJAVJJ-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.45
Rot. Bonds6

About N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylbenzamide

N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylbenzamide (PubChem CID 133186522) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylbenzamide
PubChem CID133186522
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylbenzamide
SMILESCOc1cc(C)c(C(C)NC(=O)c2ccc(N3CCOCC3)cc2)cc1C(C)C
InChIInChI=1S/C24H32N2O3/c1-16(2)21-15-22(17(3)14-23(21)28-5)18(4)25-24(27)19-6-8-20(9-7-19)26-10-12-29-13-11-26/h6-9,14-16,18H,10-13H2,1-5H3,(H,25,27)
InChIKeyLJZHNMCRQJAVJJ-UHFFFAOYSA-N
XLogP4.45
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 133217613
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133186104
4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methylbenzamide
CID 133217534
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 133186501
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylbenzamide
CID 92674988
N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 51956598
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 133161272
4-[ethylsulfonyl(methyl)amino]-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 125086247
4-chloro-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-nitrobenzamide
CID 133186114
4-methyl-3-morpholin-4-yl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 46977369
4-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-propan-2-ylbenzamide
CID 100716626
N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 51956651

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylbenzamide (CID 133186522) is N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylbenzamide is COc1cc(C)c(C(C)NC(=O)c2ccc(N3CCOCC3)cc2)cc1C(C)C.
What is the InChIKey of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylbenzamide?
The InChIKey is LJZHNMCRQJAVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-16(2)21-15-22(17(3)14-23(21)28-5)18(4)25-24(27)19-6-8-20(9-7-19)26-10-12-29-13-11-26/h6-9,14-16,18H,10-13H2,1-5H3,(H,25,27).
What are the key properties of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylbenzamide?
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylbenzamide has a molecular weight of 396.53 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 133186522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).