1-N-[2-(dibutylamino)ethyl]-2-methoxybenzene-1,4-dicarboxamide

C19H31N3O3 — CID 68776684

IUPAC1-N-[2-(dibutylamino)ethyl]-2-methoxybenzene-1,4-dicarboxamide
SMILESCCCCN(CCCC)CCNC(=O)c1ccc(C(N)=O)cc1OC
InChIInChI=1S/C19H31N3O3/c1-4-6-11-22(12-7-5-2)13-10-21-19(24)16-9-8-15(18(20)23)14-17(16)25-3/h8-9,14H,4-7,10-13H2,1-3H3,(H2,20,23)(H,21,24)
InChIKeyCFACKENNBZLOKA-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.43
Rot. Bonds12

About 1-N-[2-(dibutylamino)ethyl]-2-methoxybenzene-1,4-dicarboxamide

1-N-[2-(dibutylamino)ethyl]-2-methoxybenzene-1,4-dicarboxamide (PubChem CID 68776684) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-N-[2-(dibutylamino)ethyl]-2-methoxybenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(dibutylamino)ethyl]-2-methoxybenzene-1,4-dicarboxamide
PubChem CID68776684
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name1-N-[2-(dibutylamino)ethyl]-2-methoxybenzene-1,4-dicarboxamide
SMILESCCCCN(CCCC)CCNC(=O)c1ccc(C(N)=O)cc1OC
InChIInChI=1S/C19H31N3O3/c1-4-6-11-22(12-7-5-2)13-10-21-19(24)16-9-8-15(18(20)23)14-17(16)25-3/h8-9,14H,4-7,10-13H2,1-3H3,(H2,20,23)(H,21,24)
InChIKeyCFACKENNBZLOKA-UHFFFAOYSA-N
XLogP2.43
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide
CID 68809387
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363
1-N,3-N-bis[2-(dibutylamino)ethyl]benzene-1,3-dicarboxamide
CID 139956379
4-amino-N-[2-(diethylamino)ethyl]-3-methoxybenzamide
CID 58155168
4-butoxy-3-methoxybenzamide
CID 47102628
4-methoxy-3-pentoxybenzamide
CID 82041442
N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide
CID 110441376
4-cyano-N-[2-(dibutylamino)ethyl]-1-methoxynaphthalene-2-carboxamide;hydrochloride
CID 67614626
4-acetamido-N-[4-[butyl(methyl)amino]butyl]-2-methoxybenzamide
CID 16748476
N-[2-[butyl(octyl)amino]ethyl]-4-[4-[2-[butyl(octyl)amino]ethylcarbamoyl]phenyl]benzamide
CID 139955241
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
4-hydroxy-3-methoxybenzamide;nonane
CID 174831625

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dibutylamino)ethyl]-2-methoxybenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-(dibutylamino)ethyl]-2-methoxybenzene-1,4-dicarboxamide (CID 68776684) is 1-N-[2-(dibutylamino)ethyl]-2-methoxybenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-(dibutylamino)ethyl]-2-methoxybenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-(dibutylamino)ethyl]-2-methoxybenzene-1,4-dicarboxamide is CCCCN(CCCC)CCNC(=O)c1ccc(C(N)=O)cc1OC.
What is the InChIKey of 1-N-[2-(dibutylamino)ethyl]-2-methoxybenzene-1,4-dicarboxamide?
The InChIKey is CFACKENNBZLOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-4-6-11-22(12-7-5-2)13-10-21-19(24)16-9-8-15(18(20)23)14-17(16)25-3/h8-9,14H,4-7,10-13H2,1-3H3,(H2,20,23)(H,21,24).
What are the key properties of 1-N-[2-(dibutylamino)ethyl]-2-methoxybenzene-1,4-dicarboxamide?
1-N-[2-(dibutylamino)ethyl]-2-methoxybenzene-1,4-dicarboxamide has a molecular weight of 349.48 g/mol, XLogP of 2.43, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(dibutylamino)ethyl]-2-methoxybenzene-1,4-dicarboxamide is sourced from PubChem (CID 68776684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).