3-[bis(2-methoxyethyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide

C15H31N3O3 — CID 79627693

IUPAC3-[bis(2-methoxyethyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC(N(CCOC)CCOC)C1
InChIInChI=1S/C15H31N3O3/c1-4-17-15(14(16)19)7-5-6-13(12-15)18(8-10-20-2)9-11-21-3/h13,17H,4-12H2,1-3H3,(H2,16,19)
InChIKeyOTJKFTDZOHOEBB-UHFFFAOYSA-N
MW301.43 g/mol
LogP0.36
Rot. Bonds10

About 3-[bis(2-methoxyethyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide

3-[bis(2-methoxyethyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide (PubChem CID 79627693) has the molecular formula C15H31N3O3 and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide
PubChem CID79627693
Molecular FormulaC15H31N3O3
Molecular Weight301.43 g/mol
Exact Mass301.24
IUPAC Name3-[bis(2-methoxyethyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC(N(CCOC)CCOC)C1
InChIInChI=1S/C15H31N3O3/c1-4-17-15(14(16)19)7-5-6-13(12-15)18(8-10-20-2)9-11-21-3/h13,17H,4-12H2,1-3H3,(H2,16,19)
InChIKeyOTJKFTDZOHOEBB-UHFFFAOYSA-N
XLogP0.36
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dipropylamino)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79650183
1-(ethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxamide
CID 79647416
3-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide
CID 79636670
1-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carboxamide
CID 104565261
3-[cyclopropylmethyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide
CID 79641470
1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxamide
CID 79636536
3-[bis(cyclopropylmethyl)amino]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79650869
3-[2-methoxyethyl(pentan-3-yl)amino]-1-(methylamino)cyclohexane-1-carboxamide
CID 79628023
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79564755
1-(ethylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxamide
CID 79641468
ethyl 3-[bis(2-methoxyethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79647195
1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxamide
CID 82743164

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methoxyethyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-[bis(2-methoxyethyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide (CID 79627693) is 3-[bis(2-methoxyethyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-[bis(2-methoxyethyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-[bis(2-methoxyethyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide is CCNC1(C(N)=O)CCCC(N(CCOC)CCOC)C1.
What is the InChIKey of 3-[bis(2-methoxyethyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide?
The InChIKey is OTJKFTDZOHOEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3/c1-4-17-15(14(16)19)7-5-6-13(12-15)18(8-10-20-2)9-11-21-3/h13,17H,4-12H2,1-3H3,(H2,16,19).
What are the key properties of 3-[bis(2-methoxyethyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide?
3-[bis(2-methoxyethyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 0.36, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methoxyethyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79627693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).