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

C27H25N3O — CID 174193130

IUPAC5-(3-aminoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide
SMILESCc1ccc(Nc2cccc(N)c2)cc1C(=O)NC1(c2cccc3ccccc23)CC1
InChIInChI=1S/C27H25N3O/c1-18-12-13-22(29-21-9-5-8-20(28)16-21)17-24(18)26(31)30-27(14-15-27)25-11-4-7-19-6-2-3-10-23(19)25/h2-13,16-17,29H,14-15,28H2,1H3,(H,30,31)
InChIKeyYZGYUDBNTREMJX-UHFFFAOYSA-N
MW407.52 g/mol
LogP5.89
Rot. Bonds5

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

5-(3-aminoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide (PubChem CID 174193130) has the molecular formula C27H25N3O and a molecular weight of 407.52 g/mol. Its IUPAC name is 5-(3-aminoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide.

Molecular Properties

Compound Name5-(3-aminoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide
PubChem CID174193130
Molecular FormulaC27H25N3O
Molecular Weight407.52 g/mol
Exact Mass407.20
IUPAC Name5-(3-aminoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide
SMILESCc1ccc(Nc2cccc(N)c2)cc1C(=O)NC1(c2cccc3ccccc23)CC1
InChIInChI=1S/C27H25N3O/c1-18-12-13-22(29-21-9-5-8-20(28)16-21)17-24(18)26(31)30-27(14-15-27)25-11-4-7-19-6-2-3-10-23(19)25/h2-13,16-17,29H,14-15,28H2,1H3,(H,30,31)
InChIKeyYZGYUDBNTREMJX-UHFFFAOYSA-N
XLogP5.89
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 55.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-acetamidoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide
CID 174193131
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
butyl N-[1-[[4-methyl-3-[(1-naphthalen-1-ylcyclopropyl)carbamoyl]phenoxy]methyl]cyclopropyl]carbamate
CID 175879195
2-amino-N-(1-naphthalen-1-ylcyclopropyl)pyridine-4-carboxamide
CID 174193110
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
2-methyl-N-(1-naphthalen-1-ylcyclopropyl)-5-piperazin-1-ylpyridine-3-carboxamide
CID 174194574
5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(5-fluoronaphthalen-1-yl)cyclopropyl]-2-methylbenzamide
CID 177268956
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[5-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide
CID 177269051
3-methoxy-N-(1-naphthalen-1-ylcyclopropyl)thiophene-2-carboxamide
CID 110445995

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide?
The IUPAC name of 5-(3-aminoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide (CID 174193130) is 5-(3-aminoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide.
What is the SMILES notation for 5-(3-aminoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide?
The canonical SMILES for 5-(3-aminoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide is Cc1ccc(Nc2cccc(N)c2)cc1C(=O)NC1(c2cccc3ccccc23)CC1.
What is the InChIKey of 5-(3-aminoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide?
The InChIKey is YZGYUDBNTREMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O/c1-18-12-13-22(29-21-9-5-8-20(28)16-21)17-24(18)26(31)30-27(14-15-27)25-11-4-7-19-6-2-3-10-23(19)25/h2-13,16-17,29H,14-15,28H2,1H3,(H,30,31).
What are the key properties of 5-(3-aminoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide?
5-(3-aminoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide has a molecular weight of 407.52 g/mol, XLogP of 5.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide is sourced from PubChem (CID 174193130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).