N,N,4-trimethyl-3-(pentan-2-ylcarbamoylamino)benzamide

C16H25N3O2 — CID 47041438

IUPACN,N,4-trimethyl-3-(pentan-2-ylcarbamoylamino)benzamide
SMILESCCCC(C)NC(=O)Nc1cc(C(=O)N(C)C)ccc1C
InChIInChI=1S/C16H25N3O2/c1-6-7-12(3)17-16(21)18-14-10-13(9-8-11(14)2)15(20)19(4)5/h8-10,12H,6-7H2,1-5H3,(H2,17,18,21)
InChIKeyARLOTDVJHVDBST-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.01
Rot. Bonds5

About N,N,4-trimethyl-3-(pentan-2-ylcarbamoylamino)benzamide

N,N,4-trimethyl-3-(pentan-2-ylcarbamoylamino)benzamide (PubChem CID 47041438) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N,N,4-trimethyl-3-(pentan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN,N,4-trimethyl-3-(pentan-2-ylcarbamoylamino)benzamide
PubChem CID47041438
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN,N,4-trimethyl-3-(pentan-2-ylcarbamoylamino)benzamide
SMILESCCCC(C)NC(=O)Nc1cc(C(=O)N(C)C)ccc1C
InChIInChI=1S/C16H25N3O2/c1-6-7-12(3)17-16(21)18-14-10-13(9-8-11(14)2)15(20)19(4)5/h8-10,12H,6-7H2,1-5H3,(H2,17,18,21)
InChIKeyARLOTDVJHVDBST-UHFFFAOYSA-N
XLogP3.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,4-trimethyl-3-(propanoylamino)benzamide
CID 60650905
3-[(4-amino-2-methylbutanoyl)amino]-N,N,4-trimethylbenzamide
CID 80543366
3-[[(2S)-2-aminobutanoyl]amino]-N,N,4-trimethylbenzamide
CID 79024817
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-N,N,4-trimethylbenzamide
CID 61179468
1-(5-acetyl-2-methylphenyl)-3-butan-2-ylurea
CID 110612625
N,N,4-trimethyl-3-(2-methylpentan-3-ylamino)benzamide
CID 43783525
N,N,4-trimethyl-3-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119719084
3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide
CID 82989916
methyl 4-methyl-3-(pentan-2-ylcarbamothioylamino)benzoate
CID 133184077
methyl 4-methyl-3-[[(2S)-pentan-2-yl]carbamothioylamino]benzoate
CID 100609710
3-(3-chloropropanoylamino)-N,N,4-trimethylbenzamide
CID 43698528
N,N-dimethyl-4-[[(2S)-pentan-2-yl]carbamothioylamino]benzamide
CID 100610412

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-3-(pentan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N,N,4-trimethyl-3-(pentan-2-ylcarbamoylamino)benzamide (CID 47041438) is N,N,4-trimethyl-3-(pentan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N,N,4-trimethyl-3-(pentan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N,N,4-trimethyl-3-(pentan-2-ylcarbamoylamino)benzamide is CCCC(C)NC(=O)Nc1cc(C(=O)N(C)C)ccc1C.
What is the InChIKey of N,N,4-trimethyl-3-(pentan-2-ylcarbamoylamino)benzamide?
The InChIKey is ARLOTDVJHVDBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-6-7-12(3)17-16(21)18-14-10-13(9-8-11(14)2)15(20)19(4)5/h8-10,12H,6-7H2,1-5H3,(H2,17,18,21).
What are the key properties of N,N,4-trimethyl-3-(pentan-2-ylcarbamoylamino)benzamide?
N,N,4-trimethyl-3-(pentan-2-ylcarbamoylamino)benzamide has a molecular weight of 291.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-3-(pentan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 47041438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).