5-(3-acetamidoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide

C29H27N3O2 — CID 174193131

IUPAC5-(3-acetamidoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide
SMILESCC(=O)Nc1cccc(Nc2ccc(C)c(C(=O)NC3(c4cccc5ccccc45)CC3)c2)c1
InChIInChI=1S/C29H27N3O2/c1-19-13-14-24(31-23-10-6-9-22(17-23)30-20(2)33)18-26(19)28(34)32-29(15-16-29)27-12-5-8-21-7-3-4-11-25(21)27/h3-14,17-18,31H,15-16H2,1-2H3,(H,30,33)(H,32,34)
InChIKeyCWYWJMKGNZACLY-UHFFFAOYSA-N
MW449.55 g/mol
LogP6.27
Rot. Bonds6

About 5-(3-acetamidoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide

5-(3-acetamidoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide (PubChem CID 174193131) has the molecular formula C29H27N3O2 and a molecular weight of 449.55 g/mol. Its IUPAC name is 5-(3-acetamidoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide.

Molecular Properties

Compound Name5-(3-acetamidoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide
PubChem CID174193131
Molecular FormulaC29H27N3O2
Molecular Weight449.55 g/mol
Exact Mass449.21
IUPAC Name5-(3-acetamidoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide
SMILESCC(=O)Nc1cccc(Nc2ccc(C)c(C(=O)NC3(c4cccc5ccccc45)CC3)c2)c1
InChIInChI=1S/C29H27N3O2/c1-19-13-14-24(31-23-10-6-9-22(17-23)30-20(2)33)18-26(19)28(34)32-29(15-16-29)27-12-5-8-21-7-3-4-11-25(21)27/h3-14,17-18,31H,15-16H2,1-2H3,(H,30,33)(H,32,34)
InChIKeyCWYWJMKGNZACLY-UHFFFAOYSA-N
XLogP6.27
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.55
LogP ≤ 56.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(3-acetamidoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)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

5-(3-aminoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide
CID 174193130
5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide
CID 174194684
2-methyl-5-(4-methylsulfonylpiperazin-1-yl)-N-(1-naphthalen-1-ylcyclopropyl)benzamide
CID 174194885
2-amino-6-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide
CID 174193126
N-[1-(4-fluoronaphthalen-1-yl)cyclopropyl]-2-methyl-5-(piperidin-4-ylamino)benzamide
CID 177268874
2-[3-[[1-(3-methoxynaphthalen-1-yl)cyclopropyl]carbamoyl]-4-methylphenoxy]ethyl N-methylcarbamate
CID 175879151
3-methoxy-N-(1-naphthalen-1-ylcyclopropyl)thiophene-2-carboxamide
CID 110445995
5-(3-acetamidoanilino)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 109199474
N-[(E)-4-(3-cyanoanilino)-4-oxobut-2-enyl]-N'-[[2-[(1-naphthalen-1-ylcyclopropyl)carbamoyl]phenyl]methyl]oxamide
CID 171822396
5-(3-acetylanilino)-2-methylbenzoic acid
CID 155290240
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[5-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide
CID 177269051
N-[3-(4-fluoroanilino)phenyl]acetamide
CID 82536071

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetamidoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide?
The IUPAC name of 5-(3-acetamidoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide (CID 174193131) is 5-(3-acetamidoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide.
What is the SMILES notation for 5-(3-acetamidoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide?
The canonical SMILES for 5-(3-acetamidoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide is CC(=O)Nc1cccc(Nc2ccc(C)c(C(=O)NC3(c4cccc5ccccc45)CC3)c2)c1.
What is the InChIKey of 5-(3-acetamidoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide?
The InChIKey is CWYWJMKGNZACLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O2/c1-19-13-14-24(31-23-10-6-9-22(17-23)30-20(2)33)18-26(19)28(34)32-29(15-16-29)27-12-5-8-21-7-3-4-11-25(21)27/h3-14,17-18,31H,15-16H2,1-2H3,(H,30,33)(H,32,34).
What are the key properties of 5-(3-acetamidoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide?
5-(3-acetamidoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide has a molecular weight of 449.55 g/mol, XLogP of 6.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetamidoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide is sourced from PubChem (CID 174193131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).