N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide

C18H28N4O4 — CID 131895084

IUPACN-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
SMILESCOCC(=O)Nc1cc(NC(=O)CN2CCCN(C)CC2)ccc1OC
InChIInChI=1S/C18H28N4O4/c1-21-7-4-8-22(10-9-21)12-17(23)19-14-5-6-16(26-3)15(11-14)20-18(24)13-25-2/h5-6,11H,4,7-10,12-13H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyGCXPHOYJAAUGEN-UHFFFAOYSA-N
MW364.45 g/mol
LogP0.86
Rot. Bonds7

About N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide

N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide (PubChem CID 131895084) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
PubChem CID131895084
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC NameN-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
SMILESCOCC(=O)Nc1cc(NC(=O)CN2CCCN(C)CC2)ccc1OC
InChIInChI=1S/C18H28N4O4/c1-21-7-4-8-22(10-9-21)12-17(23)19-14-5-6-16(26-3)15(11-14)20-18(24)13-25-2/h5-6,11H,4,7-10,12-13H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyGCXPHOYJAAUGEN-UHFFFAOYSA-N
XLogP0.86
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-(azocan-1-yl)acetamide
CID 8680244
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
N-(5-acetamido-2-methoxyphenyl)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetamide
CID 16599233
1-ethyl-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-methylpiperidine-3-carboxamide
CID 131890149
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986
N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 3703737
N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide
CID 47542871
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 9131080
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
CID 2958479
N-(5-acetamido-2-methoxyphenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide
CID 16597958
2-(4-methyl-1,4-diazepan-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 131940932
N-(2-amino-4-methylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 43375794

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide (CID 131895084) is N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide is COCC(=O)Nc1cc(NC(=O)CN2CCCN(C)CC2)ccc1OC.
What is the InChIKey of N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The InChIKey is GCXPHOYJAAUGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-21-7-4-8-22(10-9-21)12-17(23)19-14-5-6-16(26-3)15(11-14)20-18(24)13-25-2/h5-6,11H,4,7-10,12-13H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide has a molecular weight of 364.45 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 131895084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).