4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide

C16H25N3O2 — CID 43699933

IUPAC4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide
SMILESCc1cc(C(=O)NC(CC(C)C)C(=O)N(C)C)ccc1N
InChIInChI=1S/C16H25N3O2/c1-10(2)8-14(16(21)19(4)5)18-15(20)12-6-7-13(17)11(3)9-12/h6-7,9-10,14H,8,17H2,1-5H3,(H,18,20)
InChIKeyFBGMPCUOWCYBMA-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.81
Rot. Bonds5

About 4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide

4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide (PubChem CID 43699933) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide
PubChem CID43699933
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide
SMILESCc1cc(C(=O)NC(CC(C)C)C(=O)N(C)C)ccc1N
InChIInChI=1S/C16H25N3O2/c1-10(2)8-14(16(21)19(4)5)18-15(20)12-6-7-13(17)11(3)9-12/h6-7,9-10,14H,8,17H2,1-5H3,(H,18,20)
InChIKeyFBGMPCUOWCYBMA-UHFFFAOYSA-N
XLogP1.81
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.81
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-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-fluoro-4-methylbenzamide
CID 51950559
3-bromo-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-4-fluorobenzamide
CID 103706839
4-(aminomethyl)-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 43699907
2-chloro-N-[(2R)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
CID 51891718
N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 47101431
methyl (2R)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798268
methyl (2S)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798267
(2S)-2-[(4-amino-3-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 59813104
2-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 107674632
(2R)-2-[(4-amino-3-methylbenzoyl)amino]propanoic acid
CID 78972566
4-amino-3-methyl-N-(3-methylpentan-2-yl)benzamide
CID 54950141
4-amino-N-(4-amino-4-oxobutan-2-yl)-3-methylbenzamide
CID 113269006

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide?
The IUPAC name of 4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide (CID 43699933) is 4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide.
What is the SMILES notation for 4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide?
The canonical SMILES for 4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide is Cc1cc(C(=O)NC(CC(C)C)C(=O)N(C)C)ccc1N.
What is the InChIKey of 4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide?
The InChIKey is FBGMPCUOWCYBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-10(2)8-14(16(21)19(4)5)18-15(20)12-6-7-13(17)11(3)9-12/h6-7,9-10,14H,8,17H2,1-5H3,(H,18,20).
What are the key properties of 4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide?
4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide has a molecular weight of 291.40 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 43699933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).