N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide

C24H40N4O3 — CID 110036209

IUPACN,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide
SMILESCC1CCCCC1N/C(=N/CC(=O)N(C)C)NCCCOCCOCc1ccccc1
InChIInChI=1S/C24H40N4O3/c1-20-10-7-8-13-22(20)27-24(26-18-23(29)28(2)3)25-14-9-15-30-16-17-31-19-21-11-5-4-6-12-21/h4-6,11-12,20,22H,7-10,13-19H2,1-3H3,(H2,25,26,27)
InChIKeyJADDIBQJLWBUHB-UHFFFAOYSA-N
MW432.61 g/mol
LogP2.81
Rot. Bonds12

About N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide

N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide (PubChem CID 110036209) has the molecular formula C24H40N4O3 and a molecular weight of 432.61 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide
PubChem CID110036209
Molecular FormulaC24H40N4O3
Molecular Weight432.61 g/mol
Exact Mass432.31
IUPAC NameN,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide
SMILESCC1CCCCC1N/C(=N/CC(=O)N(C)C)NCCCOCCOCc1ccccc1
InChIInChI=1S/C24H40N4O3/c1-20-10-7-8-13-22(20)27-24(26-18-23(29)28(2)3)25-14-9-15-30-16-17-31-19-21-11-5-4-6-12-21/h4-6,11-12,20,22H,7-10,13-19H2,1-3H3,(H2,25,26,27)
InChIKeyJADDIBQJLWBUHB-UHFFFAOYSA-N
XLogP2.81
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[(cyclohexylamino)-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110034221
2-[[ethylamino-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110035703
N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide
CID 110034229
N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 111769730
N,N-dimethyl-2-[[[3-(2-methylbenzimidazol-1-yl)propylamino]-[(2-methylcyclohexyl)amino]methylidene]amino]acetamide
CID 111841998
N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111841975
N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-(6-methylsulfanylhexylamino)methylidene]amino]acetamide;hydroiodide
CID 110033792
N,N-dimethyl-2-[[(3-methylbutylamino)-[(2-methylcyclohexyl)amino]methylidene]amino]acetamide;hydroiodide
CID 111494855
2-[[(3-cyclohexyloxypropylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111751590
2-[[[3-(cyclopropylmethoxy)propylamino]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111751652
2-[[(cyclohexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111134761
2-[[(cyclohexylamino)-[2-[(4-methoxyphenyl)methoxy]ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110034687

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide (CID 110036209) is N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide is CC1CCCCC1N/C(=N/CC(=O)N(C)C)NCCCOCCOCc1ccccc1.
What is the InChIKey of N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide?
The InChIKey is JADDIBQJLWBUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O3/c1-20-10-7-8-13-22(20)27-24(26-18-23(29)28(2)3)25-14-9-15-30-16-17-31-19-21-11-5-4-6-12-21/h4-6,11-12,20,22H,7-10,13-19H2,1-3H3,(H2,25,26,27).
What are the key properties of N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide?
N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide has a molecular weight of 432.61 g/mol, XLogP of 2.81, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide is sourced from PubChem (CID 110036209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).