N-(5-amino-2-methoxyphenyl)-3,4,5-triethoxybenzamide

C20H26N2O5 — CID 16774665

IUPACN-(5-amino-2-methoxyphenyl)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2cc(N)ccc2OC)cc(OCC)c1OCC
InChIInChI=1S/C20H26N2O5/c1-5-25-17-10-13(11-18(26-6-2)19(17)27-7-3)20(23)22-15-12-14(21)8-9-16(15)24-4/h8-12H,5-7,21H2,1-4H3,(H,22,23)
InChIKeyZRTNXJBGYGFWQN-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.73
Rot. Bonds9

About N-(5-amino-2-methoxyphenyl)-3,4,5-triethoxybenzamide

N-(5-amino-2-methoxyphenyl)-3,4,5-triethoxybenzamide (PubChem CID 16774665) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-3,4,5-triethoxybenzamide
PubChem CID16774665
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC NameN-(5-amino-2-methoxyphenyl)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2cc(N)ccc2OC)cc(OCC)c1OCC
InChIInChI=1S/C20H26N2O5/c1-5-25-17-10-13(11-18(26-6-2)19(17)27-7-3)20(23)22-15-12-14(21)8-9-16(15)24-4/h8-12H,5-7,21H2,1-4H3,(H,22,23)
InChIKeyZRTNXJBGYGFWQN-UHFFFAOYSA-N
XLogP3.73
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-3,4,5-triethoxybenzamide;hydrochloride
CID 120569013
N-(5-amino-2-fluorophenyl)-3,4,5-triethoxybenzamide
CID 16778120
N-(5-amino-2-methoxyphenyl)-3,5-dibromobenzamide
CID 107970875
N-(5-amino-2-methoxyphenyl)-3,5-dichloro-4-methoxybenzamide
CID 50883336
N-(5-amino-2-methoxyphenyl)-4-butan-2-yloxybenzamide
CID 46735867
4,5-dimethoxy-2-[(3,4,5-triethoxybenzoyl)amino]benzoic acid
CID 16774874
N-(5-amino-2-methoxyphenyl)-3-bromobenzamide
CID 24699431
3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide
CID 24537475
5-chloro-2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]benzoic acid
CID 45429945
3-amino-N-(2-ethoxy-5-methylphenyl)-4-methoxybenzamide
CID 91684337
3,4,5-triethoxy-N-[(2-methoxyphenyl)carbamothioyl]benzamide
CID 1048249
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-3,4,5-triethoxybenzamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-3,4,5-triethoxybenzamide (CID 16774665) is N-(5-amino-2-methoxyphenyl)-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-3,4,5-triethoxybenzamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)Nc2cc(N)ccc2OC)cc(OCC)c1OCC.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-3,4,5-triethoxybenzamide?
The InChIKey is ZRTNXJBGYGFWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-5-25-17-10-13(11-18(26-6-2)19(17)27-7-3)20(23)22-15-12-14(21)8-9-16(15)24-4/h8-12H,5-7,21H2,1-4H3,(H,22,23).
What are the key properties of N-(5-amino-2-methoxyphenyl)-3,4,5-triethoxybenzamide?
N-(5-amino-2-methoxyphenyl)-3,4,5-triethoxybenzamide has a molecular weight of 374.44 g/mol, XLogP of 3.73, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-3,4,5-triethoxybenzamide is sourced from PubChem (CID 16774665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).