4-(ethylamino)-3-methyl-N-octan-4-ylbenzamide

C18H30N2O — CID 106027950

IUPAC4-(ethylamino)-3-methyl-N-octan-4-ylbenzamide
SMILESCCCCC(CCC)NC(=O)c1ccc(NCC)c(C)c1
InChIInChI=1S/C18H30N2O/c1-5-8-10-16(9-6-2)20-18(21)15-11-12-17(19-7-3)14(4)13-15/h11-13,16,19H,5-10H2,1-4H3,(H,20,21)
InChIKeyKGMVOBRYMJRHRB-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.52
Rot. Bonds9

About 4-(ethylamino)-3-methyl-N-octan-4-ylbenzamide

4-(ethylamino)-3-methyl-N-octan-4-ylbenzamide (PubChem CID 106027950) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-(ethylamino)-3-methyl-N-octan-4-ylbenzamide.

Molecular Properties

Compound Name4-(ethylamino)-3-methyl-N-octan-4-ylbenzamide
PubChem CID106027950
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-(ethylamino)-3-methyl-N-octan-4-ylbenzamide
SMILESCCCCC(CCC)NC(=O)c1ccc(NCC)c(C)c1
InChIInChI=1S/C18H30N2O/c1-5-8-10-16(9-6-2)20-18(21)15-11-12-17(19-7-3)14(4)13-15/h11-13,16,19H,5-10H2,1-4H3,(H,20,21)
InChIKeyKGMVOBRYMJRHRB-UHFFFAOYSA-N
XLogP4.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(ethylamino)-3-methyl-N-pentan-2-ylbenzamide
CID 55161115
4-(ethylamino)-N-(4-methoxybutan-2-yl)-3-methylbenzamide
CID 64605746
N-hexan-2-yl-4-hydrazinyl-3-methylbenzamide
CID 63211510
N-octan-4-yl-4-sulfanylbenzamide
CID 114138154
N-ethyl-4-(heptan-4-ylamino)-3-methylbenzamide
CID 60935830
4-(ethylamino)-3-methyl-N-(5-methylhexyl)benzamide
CID 115327258
N-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide
CID 113265964
N-octan-4-yl-1H-indole-6-carboxamide
CID 106025028
1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide
CID 70884493
5-methyl-2-(methylamino)-N-octan-4-ylbenzamide
CID 106027859
4-tert-butyl-N-heptan-4-ylbenzamide
CID 138525805
5-amino-2,4-dimethyl-N-octan-4-ylbenzamide
CID 106021805

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3-methyl-N-octan-4-ylbenzamide?
The IUPAC name of 4-(ethylamino)-3-methyl-N-octan-4-ylbenzamide (CID 106027950) is 4-(ethylamino)-3-methyl-N-octan-4-ylbenzamide.
What is the SMILES notation for 4-(ethylamino)-3-methyl-N-octan-4-ylbenzamide?
The canonical SMILES for 4-(ethylamino)-3-methyl-N-octan-4-ylbenzamide is CCCCC(CCC)NC(=O)c1ccc(NCC)c(C)c1.
What is the InChIKey of 4-(ethylamino)-3-methyl-N-octan-4-ylbenzamide?
The InChIKey is KGMVOBRYMJRHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-8-10-16(9-6-2)20-18(21)15-11-12-17(19-7-3)14(4)13-15/h11-13,16,19H,5-10H2,1-4H3,(H,20,21).
What are the key properties of 4-(ethylamino)-3-methyl-N-octan-4-ylbenzamide?
4-(ethylamino)-3-methyl-N-octan-4-ylbenzamide has a molecular weight of 290.45 g/mol, XLogP of 4.52, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3-methyl-N-octan-4-ylbenzamide is sourced from PubChem (CID 106027950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).