N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-4-methylbenzamide

C22H27N3O5 — CID 651079

IUPACN-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-4-methylbenzamide
SMILESCOc1cc(NC(=O)c2ccc(C)cc2)c(OC)cc1NC(=O)CN1CCOCC1
InChIInChI=1S/C22H27N3O5/c1-15-4-6-16(7-5-15)22(27)24-18-13-19(28-2)17(12-20(18)29-3)23-21(26)14-25-8-10-30-11-9-25/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyKNLMELPWDYZSLU-UHFFFAOYSA-N
MW413.47 g/mol
LogP2.54
Rot. Bonds7

About N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-4-methylbenzamide

N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-4-methylbenzamide (PubChem CID 651079) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-4-methylbenzamide
PubChem CID651079
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC NameN-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-4-methylbenzamide
SMILESCOc1cc(NC(=O)c2ccc(C)cc2)c(OC)cc1NC(=O)CN1CCOCC1
InChIInChI=1S/C22H27N3O5/c1-15-4-6-16(7-5-15)22(27)24-18-13-19(28-2)17(12-20(18)29-3)23-21(26)14-25-8-10-30-11-9-25/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyKNLMELPWDYZSLU-UHFFFAOYSA-N
XLogP2.54
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Benzamide, N-(4-amino-2,5-diethoxyphenyl)-
CID 67108
4-methoxy-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide
CID 3154679
N,N'-Bis(3-methoxyphenyl)terephthalamide
CID 248372
Fast Blue RR
CID 93116
4-Benzoylamino-2,5-dimethoxyaniline
CID 80442
4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-3,5-dimethylbenzamide
CID 23653531
N-(3-Methoxy-phenyl)-4-(4-phenyl-piperazin-1-ylmethyl)-benzamide
CID 653541
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-phenylbenzamide
CID 10939167
4-fluoro-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)benzamide
CID 13318472
N-{2-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-2,6-dimethyl-piperazin-1-yl]-ethyl}-4-fluoro-benzamide
CID 44336170
4-Methoxyphenyl 4-(2-methoxyphenyl)piperazinyl ketone
CID 722098
N-(2,5-dimethoxyphenyl)-4-methoxybenzamide
CID 532276

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-4-methylbenzamide?
The IUPAC name of N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-4-methylbenzamide (CID 651079) is N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-4-methylbenzamide is COc1cc(NC(=O)c2ccc(C)cc2)c(OC)cc1NC(=O)CN1CCOCC1.
What is the InChIKey of N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-4-methylbenzamide?
The InChIKey is KNLMELPWDYZSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-15-4-6-16(7-5-15)22(27)24-18-13-19(28-2)17(12-20(18)29-3)23-21(26)14-25-8-10-30-11-9-25/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-4-methylbenzamide?
N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-4-methylbenzamide has a molecular weight of 413.47 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-4-methylbenzamide is sourced from PubChem (CID 651079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).