N-ethyl-4-(heptan-4-ylamino)-3-methylbenzamide

C17H28N2O — CID 60935830

IUPACN-ethyl-4-(heptan-4-ylamino)-3-methylbenzamide
SMILESCCCC(CCC)Nc1ccc(C(=O)NCC)cc1C
InChIInChI=1S/C17H28N2O/c1-5-8-15(9-6-2)19-16-11-10-14(12-13(16)4)17(20)18-7-3/h10-12,15,19H,5-9H2,1-4H3,(H,18,20)
InChIKeyPNVCWILPJPZKPZ-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.13
Rot. Bonds8

About N-ethyl-4-(heptan-4-ylamino)-3-methylbenzamide

N-ethyl-4-(heptan-4-ylamino)-3-methylbenzamide (PubChem CID 60935830) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-ethyl-4-(heptan-4-ylamino)-3-methylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-(heptan-4-ylamino)-3-methylbenzamide
PubChem CID60935830
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-ethyl-4-(heptan-4-ylamino)-3-methylbenzamide
SMILESCCCC(CCC)Nc1ccc(C(=O)NCC)cc1C
InChIInChI=1S/C17H28N2O/c1-5-8-15(9-6-2)19-16-11-10-14(12-13(16)4)17(20)18-7-3/h10-12,15,19H,5-9H2,1-4H3,(H,18,20)
InChIKeyPNVCWILPJPZKPZ-UHFFFAOYSA-N
XLogP4.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(aminomethyl)pentanoylamino]-N-ethyl-3-methylbenzamide
CID 65229718
4-(1-cyclopropylethylamino)-N-ethyl-3-methylbenzamide
CID 54864939
N-ethyl-4-methyl-3-(pentan-3-ylamino)benzamide
CID 43734934
4-(ethylamino)-3-methyl-N-octan-4-ylbenzamide
CID 106027950
N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47264617
3-amino-N-ethyl-4-[[(2S)-pentan-2-yl]amino]benzamide
CID 99919199
4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide
CID 54862801
4-(ethylamino)-3-methyl-N-pentan-2-ylbenzamide
CID 55161115
N-ethyl-3-methyl-4-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119714183
N-ethyl-3-methyl-4-propan-2-ylbenzamide
CID 58969990
3-methyl-4-(pentan-2-ylamino)benzoic acid
CID 43736098
4-chloro-N-ethyl-3-methylbenzamide
CID 18712033

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(heptan-4-ylamino)-3-methylbenzamide?
The IUPAC name of N-ethyl-4-(heptan-4-ylamino)-3-methylbenzamide (CID 60935830) is N-ethyl-4-(heptan-4-ylamino)-3-methylbenzamide.
What is the SMILES notation for N-ethyl-4-(heptan-4-ylamino)-3-methylbenzamide?
The canonical SMILES for N-ethyl-4-(heptan-4-ylamino)-3-methylbenzamide is CCCC(CCC)Nc1ccc(C(=O)NCC)cc1C.
What is the InChIKey of N-ethyl-4-(heptan-4-ylamino)-3-methylbenzamide?
The InChIKey is PNVCWILPJPZKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-8-15(9-6-2)19-16-11-10-14(12-13(16)4)17(20)18-7-3/h10-12,15,19H,5-9H2,1-4H3,(H,18,20).
What are the key properties of N-ethyl-4-(heptan-4-ylamino)-3-methylbenzamide?
N-ethyl-4-(heptan-4-ylamino)-3-methylbenzamide has a molecular weight of 276.42 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(heptan-4-ylamino)-3-methylbenzamide is sourced from PubChem (CID 60935830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).