2-[2-(ethylamino)ethylamino]-N-(1-formamido-1-oxopentan-2-yl)-N-formyl-6-methylbenzamide

C19H28N4O4 — CID 169257390

IUPAC2-[2-(ethylamino)ethylamino]-N-(1-formamido-1-oxopentan-2-yl)-N-formyl-6-methylbenzamide
SMILESCCCC(C(=O)NC=O)N(C=O)C(=O)c1c(C)cccc1NCCNCC
InChIInChI=1S/C19H28N4O4/c1-4-7-16(18(26)22-12-24)23(13-25)19(27)17-14(3)8-6-9-15(17)21-11-10-20-5-2/h6,8-9,12-13,16,20-21H,4-5,7,10-11H2,1-3H3,(H,22,24,26)
InChIKeyWNJCLQWUOVXXHJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.06
Rot. Bonds12

About 2-[2-(ethylamino)ethylamino]-N-(1-formamido-1-oxopentan-2-yl)-N-formyl-6-methylbenzamide

2-[2-(ethylamino)ethylamino]-N-(1-formamido-1-oxopentan-2-yl)-N-formyl-6-methylbenzamide (PubChem CID 169257390) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[2-(ethylamino)ethylamino]-N-(1-formamido-1-oxopentan-2-yl)-N-formyl-6-methylbenzamide.

Molecular Properties

Compound Name2-[2-(ethylamino)ethylamino]-N-(1-formamido-1-oxopentan-2-yl)-N-formyl-6-methylbenzamide
PubChem CID169257390
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name2-[2-(ethylamino)ethylamino]-N-(1-formamido-1-oxopentan-2-yl)-N-formyl-6-methylbenzamide
SMILESCCCC(C(=O)NC=O)N(C=O)C(=O)c1c(C)cccc1NCCNCC
InChIInChI=1S/C19H28N4O4/c1-4-7-16(18(26)22-12-24)23(13-25)19(27)17-14(3)8-6-9-15(17)21-11-10-20-5-2/h6,8-9,12-13,16,20-21H,4-5,7,10-11H2,1-3H3,(H,22,24,26)
InChIKeyWNJCLQWUOVXXHJ-UHFFFAOYSA-N
XLogP1.06
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-6-(12-oxododecylamino)benzamide;methanol
CID 155749242
(Z)-but-2-ene;N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-6-[2-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]benzamide
CID 176700029
N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-3-[2-(2-propoxyethoxy)ethylamino]benzamide
CID 174321847
methyl 2-(ethylamino)-6-methylbenzoate
CID 130734584
2-(ethylamino)-6-methylbenzoic acid
CID 13478134
2-(7-aminoheptylsulfanyl)-N-(1-formamido-1-oxopentan-2-yl)-6-formyl-N-methylbenzamide
CID 166921314
N-[2-(ethylamino)ethyl]-2-(2-methylphenyl)acetamide
CID 62658588
2-(diethylamino)-N-(2,6-dimethylphenyl)pentanamide
CID 3048765
3-acetamido-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide;ethane
CID 171627638
ethane;N-formyl-2-(4-methyl-1,3-dioxoisoindol-2-yl)pentanamide
CID 156711593
2-(5-hydroxypentylamino)-6-methylbenzamide
CID 111770358
3-[2-(ethylamino)ethylamino]-4-(2-methylanilino)-4-oxobutanoic acid
CID 11836790

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)ethylamino]-N-(1-formamido-1-oxopentan-2-yl)-N-formyl-6-methylbenzamide?
The IUPAC name of 2-[2-(ethylamino)ethylamino]-N-(1-formamido-1-oxopentan-2-yl)-N-formyl-6-methylbenzamide (CID 169257390) is 2-[2-(ethylamino)ethylamino]-N-(1-formamido-1-oxopentan-2-yl)-N-formyl-6-methylbenzamide.
What is the SMILES notation for 2-[2-(ethylamino)ethylamino]-N-(1-formamido-1-oxopentan-2-yl)-N-formyl-6-methylbenzamide?
The canonical SMILES for 2-[2-(ethylamino)ethylamino]-N-(1-formamido-1-oxopentan-2-yl)-N-formyl-6-methylbenzamide is CCCC(C(=O)NC=O)N(C=O)C(=O)c1c(C)cccc1NCCNCC.
What is the InChIKey of 2-[2-(ethylamino)ethylamino]-N-(1-formamido-1-oxopentan-2-yl)-N-formyl-6-methylbenzamide?
The InChIKey is WNJCLQWUOVXXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-4-7-16(18(26)22-12-24)23(13-25)19(27)17-14(3)8-6-9-15(17)21-11-10-20-5-2/h6,8-9,12-13,16,20-21H,4-5,7,10-11H2,1-3H3,(H,22,24,26).
What are the key properties of 2-[2-(ethylamino)ethylamino]-N-(1-formamido-1-oxopentan-2-yl)-N-formyl-6-methylbenzamide?
2-[2-(ethylamino)ethylamino]-N-(1-formamido-1-oxopentan-2-yl)-N-formyl-6-methylbenzamide has a molecular weight of 376.46 g/mol, XLogP of 1.06, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)ethylamino]-N-(1-formamido-1-oxopentan-2-yl)-N-formyl-6-methylbenzamide is sourced from PubChem (CID 169257390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).