N,N-diethyl-3-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzamide

C19H30N4O3 — CID 40700702

IUPACN,N-diethyl-3-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
SMILESCCNC(=O)CN(CC)CC(=O)Nc1cccc(C(=O)N(CC)CC)c1
InChIInChI=1S/C19H30N4O3/c1-5-20-17(24)13-22(6-2)14-18(25)21-16-11-9-10-15(12-16)19(26)23(7-3)8-4/h9-12H,5-8,13-14H2,1-4H3,(H,20,24)(H,21,25)
InChIKeyNQIKRLKXJKBGSF-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.57
Rot. Bonds10

About N,N-diethyl-3-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzamide

N,N-diethyl-3-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzamide (PubChem CID 40700702) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is N,N-diethyl-3-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
PubChem CID40700702
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC NameN,N-diethyl-3-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
SMILESCCNC(=O)CN(CC)CC(=O)Nc1cccc(C(=O)N(CC)CC)c1
InChIInChI=1S/C19H30N4O3/c1-5-20-17(24)13-22(6-2)14-18(25)21-16-11-9-10-15(12-16)19(26)23(7-3)8-4/h9-12H,5-8,13-14H2,1-4H3,(H,20,24)(H,21,25)
InChIKeyNQIKRLKXJKBGSF-UHFFFAOYSA-N
XLogP1.57
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3-acetylanilino)-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 9432878
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837721
3-[[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]acetyl]amino]-N,N-diethylbenzamide
CID 46458841
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55535244
2-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913546
N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817607
N,N-diethyl-3-(methylcarbamoylamino)benzamide
CID 47173763
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxybenzamide
CID 54986420
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54818144
3-[[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N,N-diethylbenzamide
CID 8553890

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-3-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzamide (CID 40700702) is N,N-diethyl-3-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzamide is CCNC(=O)CN(CC)CC(=O)Nc1cccc(C(=O)N(CC)CC)c1.
What is the InChIKey of N,N-diethyl-3-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzamide?
The InChIKey is NQIKRLKXJKBGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-5-20-17(24)13-22(6-2)14-18(25)21-16-11-9-10-15(12-16)19(26)23(7-3)8-4/h9-12H,5-8,13-14H2,1-4H3,(H,20,24)(H,21,25).
What are the key properties of N,N-diethyl-3-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzamide?
N,N-diethyl-3-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzamide has a molecular weight of 362.47 g/mol, XLogP of 1.57, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 40700702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).