N-(1-amino-4-methylpentan-2-yl)-2,4,6-trimethylbenzamide

C16H26N2O — CID 55243707

IUPACN-(1-amino-4-methylpentan-2-yl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC(CN)CC(C)C)c(C)c1
InChIInChI=1S/C16H26N2O/c1-10(2)6-14(9-17)18-16(19)15-12(4)7-11(3)8-13(15)5/h7-8,10,14H,6,9,17H2,1-5H3,(H,18,19)
InChIKeyZPQWTSKMKKBHLR-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.72
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)-2,4,6-trimethylbenzamide

N-(1-amino-4-methylpentan-2-yl)-2,4,6-trimethylbenzamide (PubChem CID 55243707) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2,4,6-trimethylbenzamide
PubChem CID55243707
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC(CN)CC(C)C)c(C)c1
InChIInChI=1S/C16H26N2O/c1-10(2)6-14(9-17)18-16(19)15-12(4)7-11(3)8-13(15)5/h7-8,10,14H,6,9,17H2,1-5H3,(H,18,19)
InChIKeyZPQWTSKMKKBHLR-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylfuran-2-carboxamide
CID 119586216
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 63754724
N-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide
CID 55242929
N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzamide
CID 67697853
(1-amino-4-methylpentan-2-yl)carbamic acid
CID 19820731
N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 63888339
N-(1-amino-4-methylpentan-2-yl)-4-methyl-3-methylsulfonylbenzamide
CID 119586545
N-(1-amino-4-methylpentan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride
CID 119587345
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride
CID 119588453
N-(1-amino-4-methylpentan-2-yl)-4-bromothiophene-2-carboxamide
CID 119585627
N-(1-amino-4-methylpentan-2-yl)-3,5-dimethoxybenzamide
CID 63754722
N-(1-amino-4-methylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride
CID 119587933

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2,4,6-trimethylbenzamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2,4,6-trimethylbenzamide (CID 55243707) is N-(1-amino-4-methylpentan-2-yl)-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2,4,6-trimethylbenzamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)NC(CN)CC(C)C)c(C)c1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2,4,6-trimethylbenzamide?
The InChIKey is ZPQWTSKMKKBHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-10(2)6-14(9-17)18-16(19)15-12(4)7-11(3)8-13(15)5/h7-8,10,14H,6,9,17H2,1-5H3,(H,18,19).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2,4,6-trimethylbenzamide?
N-(1-amino-4-methylpentan-2-yl)-2,4,6-trimethylbenzamide has a molecular weight of 262.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2,4,6-trimethylbenzamide is sourced from PubChem (CID 55243707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).