N,N,4-trimethyl-3-(2-methylpentan-3-ylamino)benzamide

C16H26N2O — CID 43783525

IUPACN,N,4-trimethyl-3-(2-methylpentan-3-ylamino)benzamide
SMILESCCC(Nc1cc(C(=O)N(C)C)ccc1C)C(C)C
InChIInChI=1S/C16H26N2O/c1-7-14(11(2)3)17-15-10-13(9-8-12(15)4)16(19)18(5)6/h8-11,14,17H,7H2,1-6H3
InChIKeyBHUIESYUYXIXHZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.54
Rot. Bonds5

About N,N,4-trimethyl-3-(2-methylpentan-3-ylamino)benzamide

N,N,4-trimethyl-3-(2-methylpentan-3-ylamino)benzamide (PubChem CID 43783525) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N,N,4-trimethyl-3-(2-methylpentan-3-ylamino)benzamide.

Molecular Properties

Compound NameN,N,4-trimethyl-3-(2-methylpentan-3-ylamino)benzamide
PubChem CID43783525
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN,N,4-trimethyl-3-(2-methylpentan-3-ylamino)benzamide
SMILESCCC(Nc1cc(C(=O)N(C)C)ccc1C)C(C)C
InChIInChI=1S/C16H26N2O/c1-7-14(11(2)3)17-15-10-13(9-8-12(15)4)16(19)18(5)6/h8-11,14,17H,7H2,1-6H3
InChIKeyBHUIESYUYXIXHZ-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
N,N,4-trimethyl-3-(propanoylamino)benzamide
CID 60650905
N,N,4-trimethyl-3-(pentan-2-ylcarbamoylamino)benzamide
CID 47041438
N,N,4-trimethyl-3-(propan-2-ylsulfonylamino)benzamide
CID 62999680
4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide
CID 63361212
N,N,4-trimethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]benzamide
CID 60972543
3-[(4-amino-2-methylbutanoyl)amino]-N,N,4-trimethylbenzamide
CID 80543366
4-amino-3-[1-(diethylamino)propan-2-ylamino]-N,N-dimethylbenzamide
CID 63358713
4-N,4-N,2-trimethyl-1-N-(2-methylpentan-3-yl)benzene-1,4-diamine
CID 43779641
N,N,4-trimethyl-3-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119719084
4-chloro-N,N-dimethyl-3-(pentan-3-ylamino)benzamide
CID 43738776

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-3-(2-methylpentan-3-ylamino)benzamide?
The IUPAC name of N,N,4-trimethyl-3-(2-methylpentan-3-ylamino)benzamide (CID 43783525) is N,N,4-trimethyl-3-(2-methylpentan-3-ylamino)benzamide.
What is the SMILES notation for N,N,4-trimethyl-3-(2-methylpentan-3-ylamino)benzamide?
The canonical SMILES for N,N,4-trimethyl-3-(2-methylpentan-3-ylamino)benzamide is CCC(Nc1cc(C(=O)N(C)C)ccc1C)C(C)C.
What is the InChIKey of N,N,4-trimethyl-3-(2-methylpentan-3-ylamino)benzamide?
The InChIKey is BHUIESYUYXIXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-7-14(11(2)3)17-15-10-13(9-8-12(15)4)16(19)18(5)6/h8-11,14,17H,7H2,1-6H3.
What are the key properties of N,N,4-trimethyl-3-(2-methylpentan-3-ylamino)benzamide?
N,N,4-trimethyl-3-(2-methylpentan-3-ylamino)benzamide has a molecular weight of 262.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-3-(2-methylpentan-3-ylamino)benzamide is sourced from PubChem (CID 43783525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).