N-(2-aminophenyl)-4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanamide

C28H32N2O6 — CID 164618403

IUPACN-(2-aminophenyl)-4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanamide
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCCC(=O)Nc1ccccc1N
InChIInChI=1S/C28H32N2O6/c1-32-23-14-13-19(11-12-20-17-25(33-2)28(35-4)26(18-20)34-3)16-24(23)36-15-7-10-27(31)30-22-9-6-5-8-21(22)29/h5-6,8-9,11-14,16-18H,7,10,15,29H2,1-4H3,(H,30,31)/b12-11-
InChIKeyJEMAQKUVJDPZMY-QXMHVHEDSA-N
MW492.57 g/mol
LogP5.27
Rot. Bonds12

About N-(2-aminophenyl)-4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanamide

N-(2-aminophenyl)-4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanamide (PubChem CID 164618403) has the molecular formula C28H32N2O6 and a molecular weight of 492.57 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanamide
PubChem CID164618403
Molecular FormulaC28H32N2O6
Molecular Weight492.57 g/mol
Exact Mass492.23
IUPAC NameN-(2-aminophenyl)-4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanamide
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCCC(=O)Nc1ccccc1N
InChIInChI=1S/C28H32N2O6/c1-32-23-14-13-19(11-12-20-17-25(33-2)28(35-4)26(18-20)34-3)16-24(23)36-15-7-10-27(31)30-22-9-6-5-8-21(22)29/h5-6,8-9,11-14,16-18H,7,10,15,29H2,1-4H3,(H,30,31)/b12-11-
InChIKeyJEMAQKUVJDPZMY-QXMHVHEDSA-N
XLogP5.27
TPSA101.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.57
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]butanamide
CID 164618694
4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide
CID 119422412
N-(2-aminophenyl)-6-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]pyridine-3-carboxamide
CID 175347336
N-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119422110
4-(2-aminophenoxy)-N-(3,4,5-trimethoxyphenyl)butanamide
CID 84552154
2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide
CID 68521859
2-amino-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide
CID 68521879
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032
(E)-3-(2-aminophenyl)-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359897
4-(2-aminophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 84553998
5-[(Z)-2-[3-(2-bromoethoxy)-4-methoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 56935715
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanamide?
The IUPAC name of N-(2-aminophenyl)-4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanamide (CID 164618403) is N-(2-aminophenyl)-4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanamide?
The canonical SMILES for N-(2-aminophenyl)-4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanamide is COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCCC(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanamide?
The InChIKey is JEMAQKUVJDPZMY-QXMHVHEDSA-N. The full InChI is InChI=1S/C28H32N2O6/c1-32-23-14-13-19(11-12-20-17-25(33-2)28(35-4)26(18-20)34-3)16-24(23)36-15-7-10-27(31)30-22-9-6-5-8-21(22)29/h5-6,8-9,11-14,16-18H,7,10,15,29H2,1-4H3,(H,30,31)/b12-11-.
What are the key properties of N-(2-aminophenyl)-4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanamide?
N-(2-aminophenyl)-4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanamide has a molecular weight of 492.57 g/mol, XLogP of 5.27, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanamide is sourced from PubChem (CID 164618403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).