N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(3-ethyl-1,2-dihydrotriazol-5-yl)phenyl]ethoxy]propanamide

C25H40N4O4 — CID 59290385

IUPACN-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(3-ethyl-1,2-dihydrotriazol-5-yl)phenyl]ethoxy]propanamide
SMILESCCN1C=C(c2cccc(CCOCCC(=O)N(CC(OC)OC)C3CCCCC3)c2)NN1
InChIInChI=1S/C25H40N4O4/c1-4-28-18-23(26-27-28)21-10-8-9-20(17-21)13-15-33-16-14-24(30)29(19-25(31-2)32-3)22-11-6-5-7-12-22/h8-10,17-18,22,25-27H,4-7,11-16,19H2,1-3H3
InChIKeyQVWLIPRQPVHPPT-UHFFFAOYSA-N
MW460.62 g/mol
LogP3.06
Rot. Bonds13

About N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(3-ethyl-1,2-dihydrotriazol-5-yl)phenyl]ethoxy]propanamide

N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(3-ethyl-1,2-dihydrotriazol-5-yl)phenyl]ethoxy]propanamide (PubChem CID 59290385) has the molecular formula C25H40N4O4 and a molecular weight of 460.62 g/mol. Its IUPAC name is N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(3-ethyl-1,2-dihydrotriazol-5-yl)phenyl]ethoxy]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(3-ethyl-1,2-dihydrotriazol-5-yl)phenyl]ethoxy]propanamide
PubChem CID59290385
Molecular FormulaC25H40N4O4
Molecular Weight460.62 g/mol
Exact Mass460.30
IUPAC NameN-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(3-ethyl-1,2-dihydrotriazol-5-yl)phenyl]ethoxy]propanamide
SMILESCCN1C=C(c2cccc(CCOCCC(=O)N(CC(OC)OC)C3CCCCC3)c2)NN1
InChIInChI=1S/C25H40N4O4/c1-4-28-18-23(26-27-28)21-10-8-9-20(17-21)13-15-33-16-14-24(30)29(19-25(31-2)32-3)22-11-6-5-7-12-22/h8-10,17-18,22,25-27H,4-7,11-16,19H2,1-3H3
InChIKeyQVWLIPRQPVHPPT-UHFFFAOYSA-N
XLogP3.06
TPSA75.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(1-propan-2-yl-4,5-dihydrotriazol-4-yl)phenyl]ethoxy]propanamide
CID 89121014
N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]ethoxy]propanamide
CID 89121016
N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(1-ethyl-4,5-dihydrotriazol-4-yl)phenyl]ethoxy]propanamide
CID 90974092
N-(2,2-dimethoxyethyl)-3-[2-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethoxy]-N-pentan-3-ylpropanamide;2,3-dimethylbut-1-ene;ethane
CID 142313494
3-[2-[3-[(Z)-1-amino-2-[amino(prop-2-enyl)amino]ethenyl]phenyl]ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide
CID 143914480
N-cycloheptyl-3-[2-[3-[(Z)-1,2-diaminoethenyl]phenyl]ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide
CID 143914519
N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-[(Z)-N'-(prop-2-enylamino)carbamimidoyl]phenyl]ethoxy]propanamide
CID 143914531
3-[2-[3-[(Z)-1-amino-2-(methylamino)ethenyl]phenyl]ethoxy]-N-cycloheptyl-N-(2-hydroxy-2-methoxyethyl)propanamide
CID 143914543
3-[2-[3-(N-amino-N'-methylcarbamimidoyl)phenyl]ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide
CID 143914548
3-[2-[3-[(Z)-1-amino-2-(ethylamino)ethenyl]phenyl]ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide
CID 143914578
[Amino-[3-[2-[3-[cyclohexyl(2,2-dimethoxyethyl)amino]-3-oxopropoxy]ethyl]phenyl]methylidene]-[amino(prop-2-enyl)amino]azanium
CID 149590972
N-(2,2-dimethoxyethyl)-3-[2-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethoxy]-N-pentan-3-ylpropanamide
CID 142313495

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(3-ethyl-1,2-dihydrotriazol-5-yl)phenyl]ethoxy]propanamide?
The IUPAC name of N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(3-ethyl-1,2-dihydrotriazol-5-yl)phenyl]ethoxy]propanamide (CID 59290385) is N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(3-ethyl-1,2-dihydrotriazol-5-yl)phenyl]ethoxy]propanamide.
What is the SMILES notation for N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(3-ethyl-1,2-dihydrotriazol-5-yl)phenyl]ethoxy]propanamide?
The canonical SMILES for N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(3-ethyl-1,2-dihydrotriazol-5-yl)phenyl]ethoxy]propanamide is CCN1C=C(c2cccc(CCOCCC(=O)N(CC(OC)OC)C3CCCCC3)c2)NN1.
What is the InChIKey of N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(3-ethyl-1,2-dihydrotriazol-5-yl)phenyl]ethoxy]propanamide?
The InChIKey is QVWLIPRQPVHPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O4/c1-4-28-18-23(26-27-28)21-10-8-9-20(17-21)13-15-33-16-14-24(30)29(19-25(31-2)32-3)22-11-6-5-7-12-22/h8-10,17-18,22,25-27H,4-7,11-16,19H2,1-3H3.
What are the key properties of N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(3-ethyl-1,2-dihydrotriazol-5-yl)phenyl]ethoxy]propanamide?
N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(3-ethyl-1,2-dihydrotriazol-5-yl)phenyl]ethoxy]propanamide has a molecular weight of 460.62 g/mol, XLogP of 3.06, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(3-ethyl-1,2-dihydrotriazol-5-yl)phenyl]ethoxy]propanamide is sourced from PubChem (CID 59290385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).