3-amino-N-[8-[(4-methoxybenzoyl)-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide

C26H27N3O3 — CID 156717583

IUPAC3-amino-N-[8-[(4-methoxybenzoyl)-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide
SMILESCOc1ccc(C(=O)N(C)C2CCCc3ccc(NC(=O)c4cccc(N)c4)cc32)cc1
InChIInChI=1S/C26H27N3O3/c1-29(26(31)18-10-13-22(32-2)14-11-18)24-8-4-5-17-9-12-21(16-23(17)24)28-25(30)19-6-3-7-20(27)15-19/h3,6-7,9-16,24H,4-5,8,27H2,1-2H3,(H,28,30)
InChIKeyZSHFAHXHNRRBRI-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.68
Rot. Bonds5

About 3-amino-N-[8-[(4-methoxybenzoyl)-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide

3-amino-N-[8-[(4-methoxybenzoyl)-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide (PubChem CID 156717583) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 3-amino-N-[8-[(4-methoxybenzoyl)-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide.

Molecular Properties

Compound Name3-amino-N-[8-[(4-methoxybenzoyl)-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide
PubChem CID156717583
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name3-amino-N-[8-[(4-methoxybenzoyl)-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide
SMILESCOc1ccc(C(=O)N(C)C2CCCc3ccc(NC(=O)c4cccc(N)c4)cc32)cc1
InChIInChI=1S/C26H27N3O3/c1-29(26(31)18-10-13-22(32-2)14-11-18)24-8-4-5-17-9-12-21(16-23(17)24)28-25(30)19-6-3-7-20(27)15-19/h3,6-7,9-16,24H,4-5,8,27H2,1-2H3,(H,28,30)
InChIKeyZSHFAHXHNRRBRI-UHFFFAOYSA-N
XLogP4.68
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-[8-[(4-methoxybenzoyl)-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-N-methylbenzamide
CID 18283889
N,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42884040
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 42916496
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
methyl N-[3-[(3-aminobenzoyl)amino]phenyl]carbamate
CID 60927753
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
N-(3,4-dihydro-2H-chromen-6-yl)-4-methoxybenzamide
CID 110726170
3-[(4-methoxybenzoyl)amino]-N-methyl-N-phenylbenzamide
CID 17227750
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 43575493
N-[3-(cyclobutanecarbonylamino)phenyl]-4-methoxybenzamide
CID 56948594
3-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 110729116
N-(3-methoxyphenyl)-2-[methyl-[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
CID 8556099

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[8-[(4-methoxybenzoyl)-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide?
The IUPAC name of 3-amino-N-[8-[(4-methoxybenzoyl)-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide (CID 156717583) is 3-amino-N-[8-[(4-methoxybenzoyl)-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide.
What is the SMILES notation for 3-amino-N-[8-[(4-methoxybenzoyl)-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide?
The canonical SMILES for 3-amino-N-[8-[(4-methoxybenzoyl)-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide is COc1ccc(C(=O)N(C)C2CCCc3ccc(NC(=O)c4cccc(N)c4)cc32)cc1.
What is the InChIKey of 3-amino-N-[8-[(4-methoxybenzoyl)-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide?
The InChIKey is ZSHFAHXHNRRBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-29(26(31)18-10-13-22(32-2)14-11-18)24-8-4-5-17-9-12-21(16-23(17)24)28-25(30)19-6-3-7-20(27)15-19/h3,6-7,9-16,24H,4-5,8,27H2,1-2H3,(H,28,30).
What are the key properties of 3-amino-N-[8-[(4-methoxybenzoyl)-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide?
3-amino-N-[8-[(4-methoxybenzoyl)-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide has a molecular weight of 429.52 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[8-[(4-methoxybenzoyl)-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide is sourced from PubChem (CID 156717583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).