N-[2-amino-6-(2-butoxy-4-methoxybenzoyl)phenyl]-4-methoxybenzamide

C26H28N2O5 — CID 69360071

IUPACN-[2-amino-6-(2-butoxy-4-methoxybenzoyl)phenyl]-4-methoxybenzamide
SMILESCCCCOc1cc(OC)ccc1C(=O)c1cccc(N)c1NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C26H28N2O5/c1-4-5-15-33-23-16-19(32-3)13-14-20(23)25(29)21-7-6-8-22(27)24(21)28-26(30)17-9-11-18(31-2)12-10-17/h6-14,16H,4-5,15,27H2,1-3H3,(H,28,30)
InChIKeyKSZAZIBITDSNLA-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.95
Rot. Bonds10

About N-[2-amino-6-(2-butoxy-4-methoxybenzoyl)phenyl]-4-methoxybenzamide

N-[2-amino-6-(2-butoxy-4-methoxybenzoyl)phenyl]-4-methoxybenzamide (PubChem CID 69360071) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[2-amino-6-(2-butoxy-4-methoxybenzoyl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-amino-6-(2-butoxy-4-methoxybenzoyl)phenyl]-4-methoxybenzamide
PubChem CID69360071
Molecular FormulaC26H28N2O5
Molecular Weight448.52 g/mol
Exact Mass448.20
IUPAC NameN-[2-amino-6-(2-butoxy-4-methoxybenzoyl)phenyl]-4-methoxybenzamide
SMILESCCCCOc1cc(OC)ccc1C(=O)c1cccc(N)c1NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C26H28N2O5/c1-4-5-15-33-23-16-19(32-3)13-14-20(23)25(29)21-7-6-8-22(27)24(21)28-26(30)17-9-11-18(31-2)12-10-17/h6-14,16H,4-5,15,27H2,1-3H3,(H,28,30)
InChIKeyKSZAZIBITDSNLA-UHFFFAOYSA-N
XLogP4.95
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-6-[2-(3-amino-2,2-dimethylpropoxy)-4-tert-butylbenzoyl]phenyl]-4-methoxybenzamide
CID 68545589
tert-butyl N-[3-[2-[3-amino-2-[(4-methoxybenzoyl)amino]benzoyl]-5-phenylmethoxyphenoxy]propyl]carbamate
CID 68549364
N-[2-amino-6-[4-(dimethylamino)benzoyl]phenyl]-4-methoxybenzamide
CID 70032488
(2-butoxy-4-methoxyphenyl)-phenylmethanone
CID 18335918
N-(2-amino-5-methoxyphenyl)-4-butoxy-3-methoxybenzamide;hydrochloride
CID 119421240
4-(aminomethyl)-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride
CID 119284799
4-butoxy-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 26914609
N-(2-amino-5-methoxyphenyl)-4-butoxy-3-ethoxybenzamide
CID 119421219
3-amino-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride
CID 119715062
N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 10811951
2-butoxy-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 69361719
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-6-(2-butoxy-4-methoxybenzoyl)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[2-amino-6-(2-butoxy-4-methoxybenzoyl)phenyl]-4-methoxybenzamide (CID 69360071) is N-[2-amino-6-(2-butoxy-4-methoxybenzoyl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-amino-6-(2-butoxy-4-methoxybenzoyl)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-amino-6-(2-butoxy-4-methoxybenzoyl)phenyl]-4-methoxybenzamide is CCCCOc1cc(OC)ccc1C(=O)c1cccc(N)c1NC(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[2-amino-6-(2-butoxy-4-methoxybenzoyl)phenyl]-4-methoxybenzamide?
The InChIKey is KSZAZIBITDSNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5/c1-4-5-15-33-23-16-19(32-3)13-14-20(23)25(29)21-7-6-8-22(27)24(21)28-26(30)17-9-11-18(31-2)12-10-17/h6-14,16H,4-5,15,27H2,1-3H3,(H,28,30).
What are the key properties of N-[2-amino-6-(2-butoxy-4-methoxybenzoyl)phenyl]-4-methoxybenzamide?
N-[2-amino-6-(2-butoxy-4-methoxybenzoyl)phenyl]-4-methoxybenzamide has a molecular weight of 448.52 g/mol, XLogP of 4.95, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-6-(2-butoxy-4-methoxybenzoyl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 69360071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).