N-cyclohexyl-N-(2-methoxyethyl)-3-methylbutanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine

C22H43N5O2 — CID 145047782

IUPACN-cyclohexyl-N-(2-methoxyethyl)-3-methylbutanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
SMILESCNCCN(C)Cc1cn[nH]c1.COCCN(C(=O)CC(C)C)C1CCCCC1
InChIInChI=1S/C14H27NO2.C8H16N4/c1-12(2)11-14(16)15(9-10-17-3)13-7-5-4-6-8-13;1-9-3-4-12(2)7-8-5-10-11-6-8/h12-13H,4-11H2,1-3H3;5-6,9H,3-4,7H2,1-2H3,(H,10,11)
InChIKeyFFCUNIGOKQQSMO-UHFFFAOYSA-N
MW409.62 g/mol
LogP2.90
Rot. Bonds11

About N-cyclohexyl-N-(2-methoxyethyl)-3-methylbutanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine

N-cyclohexyl-N-(2-methoxyethyl)-3-methylbutanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine (PubChem CID 145047782) has the molecular formula C22H43N5O2 and a molecular weight of 409.62 g/mol. Its IUPAC name is N-cyclohexyl-N-(2-methoxyethyl)-3-methylbutanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclohexyl-N-(2-methoxyethyl)-3-methylbutanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
PubChem CID145047782
Molecular FormulaC22H43N5O2
Molecular Weight409.62 g/mol
Exact Mass409.34
IUPAC NameN-cyclohexyl-N-(2-methoxyethyl)-3-methylbutanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
SMILESCNCCN(C)Cc1cn[nH]c1.COCCN(C(=O)CC(C)C)C1CCCCC1
InChIInChI=1S/C14H27NO2.C8H16N4/c1-12(2)11-14(16)15(9-10-17-3)13-7-5-4-6-8-13;1-9-3-4-12(2)7-8-5-10-11-6-8/h12-13H,4-11H2,1-3H3;5-6,9H,3-4,7H2,1-2H3,(H,10,11)
InChIKeyFFCUNIGOKQQSMO-UHFFFAOYSA-N
XLogP2.90
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.62
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-N-(2-methoxyethyl)-3-methylbutanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-N-(2-methoxyethyl)-4-methylpentanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
CID 145047750
N-(cyclohexylmethyl)-N-(2-methylpropyl)acetamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
CID 145047779
N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine;N-(2-methoxyethyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 145047785
N-cyclohexyl-3-methoxy-N-(2-methylpropyl)propanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
CID 145047794
2-cyclohexyl-N-methyl-N-(2-methylpropyl)acetamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
CID 145047808
N-butyl-N-(3-methoxypropyl)cyclohexanecarboxamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
CID 145047818
N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine;N-methyl-N-(3-methylbutyl)cyclohexanecarboxamide
CID 145047859
N-cyclohexyl-3-methyl-N-(oxan-4-ylmethyl)butanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
CID 145047869
N-cyclohexyl-4-methoxy-N-(2-methylpropyl)butanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
CID 145047881
N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine;N-(3-methylbutyl)cyclohexanecarboxamide
CID 145047909
N-Cyclohexyl-2-{methyl[2-(1H-pyrazol-4-YL)ethyl]amino}butanamide
CID 50982682
2-acetamido-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 60735952

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2-methoxyethyl)-3-methylbutanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-cyclohexyl-N-(2-methoxyethyl)-3-methylbutanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine (CID 145047782) is N-cyclohexyl-N-(2-methoxyethyl)-3-methylbutanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclohexyl-N-(2-methoxyethyl)-3-methylbutanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclohexyl-N-(2-methoxyethyl)-3-methylbutanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine is CNCCN(C)Cc1cn[nH]c1.COCCN(C(=O)CC(C)C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(2-methoxyethyl)-3-methylbutanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is FFCUNIGOKQQSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2.C8H16N4/c1-12(2)11-14(16)15(9-10-17-3)13-7-5-4-6-8-13;1-9-3-4-12(2)7-8-5-10-11-6-8/h12-13H,4-11H2,1-3H3;5-6,9H,3-4,7H2,1-2H3,(H,10,11).
What are the key properties of N-cyclohexyl-N-(2-methoxyethyl)-3-methylbutanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine?
N-cyclohexyl-N-(2-methoxyethyl)-3-methylbutanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 409.62 g/mol, XLogP of 2.90, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2-methoxyethyl)-3-methylbutanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 145047782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).