N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2,2-dimethylpropanamide

C19H31N3O — CID 91683936

IUPACN-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2,2-dimethylpropanamide
SMILESCc1cc(N)c(NC(=O)C(C)(C)C)cc1N1CC(C)CC(C)C1
InChIInChI=1S/C19H31N3O/c1-12-7-13(2)11-22(10-12)17-9-16(15(20)8-14(17)3)21-18(23)19(4,5)6/h8-9,12-13H,7,10-11,20H2,1-6H3,(H,21,23)
InChIKeyNGCUYMKHNHTWJO-UHFFFAOYSA-N
MW317.48 g/mol
LogP4.04
Rot. Bonds2

About N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2,2-dimethylpropanamide

N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2,2-dimethylpropanamide (PubChem CID 91683936) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2,2-dimethylpropanamide
PubChem CID91683936
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC NameN-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2,2-dimethylpropanamide
SMILESCc1cc(N)c(NC(=O)C(C)(C)C)cc1N1CC(C)CC(C)C1
InChIInChI=1S/C19H31N3O/c1-12-7-13(2)11-22(10-12)17-9-16(15(20)8-14(17)3)21-18(23)19(4,5)6/h8-9,12-13H,7,10-11,20H2,1-6H3,(H,21,23)
InChIKeyNGCUYMKHNHTWJO-UHFFFAOYSA-N
XLogP4.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2-methylbenzamide
CID 91683959
N-[2-amino-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-4-methylphenyl]-3-methylbenzamide
CID 99969105
N-[2-amino-4-methyl-5-(3-methylpiperidin-1-yl)phenyl]-4-tert-butylbenzamide
CID 91683980
N-[2-amino-4-methyl-5-[(3R)-3-methylpiperidin-1-yl]phenyl]-2-methylpropanamide
CID 99969006
N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]acetamide
CID 99968976
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanamide
CID 43548135
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]benzamide
CID 100805211
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-4-methylaniline
CID 97051035
N-[2-amino-4-methyl-5-(4-methylpiperidin-1-yl)phenyl]-2-methoxybenzamide
CID 91684192
N-(2-amino-4-methyl-5-morpholin-4-ylphenyl)-2-methylpropanamide
CID 91683940
N-[2-amino-4-methyl-5-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide
CID 99968968
N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]propanamide
CID 99969020

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2,2-dimethylpropanamide (CID 91683936) is N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2,2-dimethylpropanamide is Cc1cc(N)c(NC(=O)C(C)(C)C)cc1N1CC(C)CC(C)C1.
What is the InChIKey of N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2,2-dimethylpropanamide?
The InChIKey is NGCUYMKHNHTWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-12-7-13(2)11-22(10-12)17-9-16(15(20)8-14(17)3)21-18(23)19(4,5)6/h8-9,12-13H,7,10-11,20H2,1-6H3,(H,21,23).
What are the key properties of N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2,2-dimethylpropanamide?
N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2,2-dimethylpropanamide has a molecular weight of 317.48 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 91683936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).