N-(3-amino-2,2-dimethylpropyl)-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide

C24H31N3O2 — CID 23823129

IUPACN-(3-amino-2,2-dimethylpropyl)-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide
SMILESCC(C)(CN)CN(Cc1cccc(NC(=O)C2CCC2)c1)C(=O)c1ccccc1
InChIInChI=1S/C24H31N3O2/c1-24(2,16-25)17-27(23(29)20-9-4-3-5-10-20)15-18-8-6-13-21(14-18)26-22(28)19-11-7-12-19/h3-6,8-10,13-14,19H,7,11-12,15-17,25H2,1-2H3,(H,26,28)
InChIKeyVDAZRGLCSFFASE-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.05
Rot. Bonds8

About N-(3-amino-2,2-dimethylpropyl)-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide

N-(3-amino-2,2-dimethylpropyl)-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide (PubChem CID 23823129) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide
PubChem CID23823129
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide
SMILESCC(C)(CN)CN(Cc1cccc(NC(=O)C2CCC2)c1)C(=O)c1ccccc1
InChIInChI=1S/C24H31N3O2/c1-24(2,16-25)17-27(23(29)20-9-4-3-5-10-20)15-18-8-6-13-21(14-18)26-22(28)19-11-7-12-19/h3-6,8-10,13-14,19H,7,11-12,15-17,25H2,1-2H3,(H,26,28)
InChIKeyVDAZRGLCSFFASE-UHFFFAOYSA-N
XLogP4.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-2,2-dimethylpropyl)-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide with MolForge

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-4-cyano-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzamide
CID 23986790
N-[3-[[(3-amino-2,2-dimethylpropyl)-benzoylamino]methyl]phenyl]-2-bromobenzamide
CID 23969364
N-(3-amino-2,2-dimethylpropyl)-N-[[2-chloro-5-(cyclopropanecarbonylamino)phenyl]methyl]-3-fluorobenzamide
CID 23795138
benzyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]acetate
CID 39908237
N-[3-[[(3-amino-2,2-dimethylpropyl)-(3-fluorobenzoyl)amino]methyl]phenyl]-2-bromobenzamide
CID 23799827
N-[3-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclobutanecarboxamide
CID 23742097
N-benzyl-N-[[5-(cyclobutanecarbonylamino)-2-(dimethylamino)phenyl]methyl]-3-methylbenzamide
CID 42816293
N-(3-amino-2,2-dimethylpropyl)-N-[[2-chloro-5-(cyclohexanecarbonylamino)phenyl]methyl]-4-cyanobenzamide
CID 23848981
tert-butyl N-benzyl-N-[[2-[[3-(cyclobutanecarbonylamino)phenyl]methoxy]phenyl]methyl]carbamate
CID 45280849
N-[3-(chloromethyl)phenyl]cyclobutanecarboxamide
CID 114293317
N-(3-amino-2,2-dimethylpropyl)-N-[[3-[(3-chlorobenzoyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide
CID 23796119
N-(3-aminopropyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,4-dimethoxybenzamide
CID 23763521

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide (CID 23823129) is N-(3-amino-2,2-dimethylpropyl)-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide is CC(C)(CN)CN(Cc1cccc(NC(=O)C2CCC2)c1)C(=O)c1ccccc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide?
The InChIKey is VDAZRGLCSFFASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-24(2,16-25)17-27(23(29)20-9-4-3-5-10-20)15-18-8-6-13-21(14-18)26-22(28)19-11-7-12-19/h3-6,8-10,13-14,19H,7,11-12,15-17,25H2,1-2H3,(H,26,28).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide?
N-(3-amino-2,2-dimethylpropyl)-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide has a molecular weight of 393.53 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide is sourced from PubChem (CID 23823129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).