2-[(4-methoxyphenyl)methoxy]-N,N,N'-trimethyl-6-(methylideneamino)-4-morpholin-4-ylbenzenecarboximidamide

C23H30N4O3 — CID 139338480

IUPAC2-[(4-methoxyphenyl)methoxy]-N,N,N'-trimethyl-6-(methylideneamino)-4-morpholin-4-ylbenzenecarboximidamide
SMILESC=Nc1cc(N2CCOCC2)cc(OCc2ccc(OC)cc2)c1/C(=N/C)N(C)C
InChIInChI=1S/C23H30N4O3/c1-24-20-14-18(27-10-12-29-13-11-27)15-21(22(20)23(25-2)26(3)4)30-16-17-6-8-19(28-5)9-7-17/h6-9,14-15H,1,10-13,16H2,2-5H3/b25-23-
InChIKeyYKKSGBVEPLWRSJ-BZZOAKBMSA-N
MW410.52 g/mol
LogP3.38
Rot. Bonds7

About 2-[(4-methoxyphenyl)methoxy]-N,N,N'-trimethyl-6-(methylideneamino)-4-morpholin-4-ylbenzenecarboximidamide

2-[(4-methoxyphenyl)methoxy]-N,N,N'-trimethyl-6-(methylideneamino)-4-morpholin-4-ylbenzenecarboximidamide (PubChem CID 139338480) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methoxy]-N,N,N'-trimethyl-6-(methylideneamino)-4-morpholin-4-ylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methoxy]-N,N,N'-trimethyl-6-(methylideneamino)-4-morpholin-4-ylbenzenecarboximidamide
PubChem CID139338480
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name2-[(4-methoxyphenyl)methoxy]-N,N,N'-trimethyl-6-(methylideneamino)-4-morpholin-4-ylbenzenecarboximidamide
SMILESC=Nc1cc(N2CCOCC2)cc(OCc2ccc(OC)cc2)c1/C(=N/C)N(C)C
InChIInChI=1S/C23H30N4O3/c1-24-20-14-18(27-10-12-29-13-11-27)15-21(22(20)23(25-2)26(3)4)30-16-17-6-8-19(28-5)9-7-17/h6-9,14-15H,1,10-13,16H2,2-5H3/b25-23-
InChIKeyYKKSGBVEPLWRSJ-BZZOAKBMSA-N
XLogP3.38
TPSA58.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-ylbenzene-1,2-diamine
CID 139342854
3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-yl-2-nitroaniline
CID 139331354
4-[5-[(4-methoxyphenyl)methoxy]-2-methylquinazolin-7-yl]morpholine
CID 139330647
4-morpholin-4-yl-2-phenylmethoxybenzoic acid
CID 139820308
methyl (2S)-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]pyrrolidine-2-carboxylate
CID 156749567
1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethyl-3-[(4-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111297072
4-[2,4-dimethyl-5-[(4-methylphenyl)methoxy]quinazolin-7-yl]morpholine
CID 158577556
4-[3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]propyl]morpholine
CID 170870151
7-[(4-methoxyphenyl)methoxy]-8-methyl-2-morpholin-4-ylchromen-4-one
CID 15650857
2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxy]-N-methyl-6-morpholin-4-yl-1-benzofuran-3-carboxamide
CID 10074312
2-[(4-methoxyphenyl)methoxy]-5-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]benzonitrile
CID 157485501
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methoxy]-N,N,N'-trimethyl-6-(methylideneamino)-4-morpholin-4-ylbenzenecarboximidamide?
The IUPAC name of 2-[(4-methoxyphenyl)methoxy]-N,N,N'-trimethyl-6-(methylideneamino)-4-morpholin-4-ylbenzenecarboximidamide (CID 139338480) is 2-[(4-methoxyphenyl)methoxy]-N,N,N'-trimethyl-6-(methylideneamino)-4-morpholin-4-ylbenzenecarboximidamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methoxy]-N,N,N'-trimethyl-6-(methylideneamino)-4-morpholin-4-ylbenzenecarboximidamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methoxy]-N,N,N'-trimethyl-6-(methylideneamino)-4-morpholin-4-ylbenzenecarboximidamide is C=Nc1cc(N2CCOCC2)cc(OCc2ccc(OC)cc2)c1/C(=N/C)N(C)C.
What is the InChIKey of 2-[(4-methoxyphenyl)methoxy]-N,N,N'-trimethyl-6-(methylideneamino)-4-morpholin-4-ylbenzenecarboximidamide?
The InChIKey is YKKSGBVEPLWRSJ-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-24-20-14-18(27-10-12-29-13-11-27)15-21(22(20)23(25-2)26(3)4)30-16-17-6-8-19(28-5)9-7-17/h6-9,14-15H,1,10-13,16H2,2-5H3/b25-23-.
What are the key properties of 2-[(4-methoxyphenyl)methoxy]-N,N,N'-trimethyl-6-(methylideneamino)-4-morpholin-4-ylbenzenecarboximidamide?
2-[(4-methoxyphenyl)methoxy]-N,N,N'-trimethyl-6-(methylideneamino)-4-morpholin-4-ylbenzenecarboximidamide has a molecular weight of 410.52 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methoxy]-N,N,N'-trimethyl-6-(methylideneamino)-4-morpholin-4-ylbenzenecarboximidamide is sourced from PubChem (CID 139338480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).