N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-methylphenyl]benzamide

C28H33N3O4 — CID 23204979

IUPACN-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-methylphenyl]benzamide
SMILESCO/N=C(\C)c1ccc(-c2ccc(C(=O)Nc3ccc(OC)c(OCCN(C)C)c3)cc2)c(C)c1
InChIInChI=1S/C28H33N3O4/c1-19-17-23(20(2)30-34-6)11-13-25(19)21-7-9-22(10-8-21)28(32)29-24-12-14-26(33-5)27(18-24)35-16-15-31(3)4/h7-14,17-18H,15-16H2,1-6H3,(H,29,32)/b30-20+
InChIKeyPWZWROZAVGPOAS-TWKHWXDSSA-N
MW475.59 g/mol
LogP5.23
Rot. Bonds10

About N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-methylphenyl]benzamide

N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-methylphenyl]benzamide (PubChem CID 23204979) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-methylphenyl]benzamide
PubChem CID23204979
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC NameN-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-methylphenyl]benzamide
SMILESCO/N=C(\C)c1ccc(-c2ccc(C(=O)Nc3ccc(OC)c(OCCN(C)C)c3)cc2)c(C)c1
InChIInChI=1S/C28H33N3O4/c1-19-17-23(20(2)30-34-6)11-13-25(19)21-7-9-22(10-8-21)28(32)29-24-12-14-26(33-5)27(18-24)35-16-15-31(3)4/h7-14,17-18H,15-16H2,1-6H3,(H,29,32)/b30-20+
InChIKeyPWZWROZAVGPOAS-TWKHWXDSSA-N
XLogP5.23
TPSA72.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]carbamoyl]phenyl]-3-methylbenzoate
CID 18980122
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-(3-nitrophenyl)benzamide
CID 18672595
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-[4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]acetamide
CID 139725586
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-phenylbenzamide
CID 56988348
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-hydroxynaphthalene-2-carboxamide
CID 166219863
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-(4-phenylphenyl)acetamide
CID 139912017
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-hydroxyphenyl)benzamide
CID 18672596
N-[3-(dimethylamino)propyl]-4-[4-[[4-methoxy-3-(1-methylpyrrolidin-3-yl)phenyl]carbamoyl]phenyl]-3-methylbenzamide
CID 70218996
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-methoxyphenyl)benzamide
CID 18672554
N-[4-(dimethylamino)-3-methoxyphenyl]-4-[4-[[4-(dimethylamino)-3-methoxyphenyl]carbamoyl]phenyl]benzamide
CID 171423306
(NE)-N-[1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]ethylidene]hydroxylamine
CID 24711373
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6-phenylpyridine-3-carboxamide
CID 22459286

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-methylphenyl]benzamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-methylphenyl]benzamide (CID 23204979) is N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-methylphenyl]benzamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-methylphenyl]benzamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-methylphenyl]benzamide is CO/N=C(\C)c1ccc(-c2ccc(C(=O)Nc3ccc(OC)c(OCCN(C)C)c3)cc2)c(C)c1.
What is the InChIKey of N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-methylphenyl]benzamide?
The InChIKey is PWZWROZAVGPOAS-TWKHWXDSSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-19-17-23(20(2)30-34-6)11-13-25(19)21-7-9-22(10-8-21)28(32)29-24-12-14-26(33-5)27(18-24)35-16-15-31(3)4/h7-14,17-18H,15-16H2,1-6H3,(H,29,32)/b30-20+.
What are the key properties of N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-methylphenyl]benzamide?
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-methylphenyl]benzamide has a molecular weight of 475.59 g/mol, XLogP of 5.23, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-methylphenyl]benzamide is sourced from PubChem (CID 23204979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).