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

C20H32N4O — CID 110039543

IUPACN,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-phenylethylamino)methylidene]amino]acetamide
SMILESCC1CCCC(N/C(=N/CC(=O)N(C)C)NCCc2ccccc2)C1
InChIInChI=1S/C20H32N4O/c1-16-8-7-11-18(14-16)23-20(22-15-19(25)24(2)3)21-13-12-17-9-5-4-6-10-17/h4-6,9-10,16,18H,7-8,11-15H2,1-3H3,(H2,21,22,23)
InChIKeyKHWXXGZZVIAADG-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.43
Rot. Bonds6

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

N,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-phenylethylamino)methylidene]amino]acetamide (PubChem CID 110039543) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-phenylethylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-phenylethylamino)methylidene]amino]acetamide
PubChem CID110039543
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC NameN,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-phenylethylamino)methylidene]amino]acetamide
SMILESCC1CCCC(N/C(=N/CC(=O)N(C)C)NCCc2ccccc2)C1
InChIInChI=1S/C20H32N4O/c1-16-8-7-11-18(14-16)23-20(22-15-19(25)24(2)3)21-13-12-17-9-5-4-6-10-17/h4-6,9-10,16,18H,7-8,11-15H2,1-3H3,(H2,21,22,23)
InChIKeyKHWXXGZZVIAADG-UHFFFAOYSA-N
XLogP2.43
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(cyclohexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111134761
N,N-dimethyl-2-[[(2-phenylethylamino)-(thian-3-ylamino)methylidene]amino]acetamide;hydroiodide
CID 110042616
N,N-dimethyl-2-[[[[4-(4-methylpiperidin-1-yl)cyclohexyl]amino]-(2-phenylethylamino)methylidene]amino]acetamide
CID 110048919
2-[[[(1-cyclopropylpiperidin-4-yl)amino]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110038895
1-(3-methylcyclohexyl)-3-(2-phenylethyl)urea
CID 47186131
N,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-methylpropylamino)methylidene]amino]acetamide
CID 110039537
N,N-dimethyl-2-[[(2-phenylethylamino)-[(1-propanoylpyrrolidin-3-yl)amino]methylidene]amino]acetamide;hydroiodide
CID 110047505
N,N-dimethyl-2-[[(2-phenylethylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide
CID 110039297
N,N-dimethyl-2-[[(2-phenylethylamino)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ylamino)methylidene]amino]acetamide;hydroiodide
CID 110041001
N,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide
CID 110039545
3-[2-[[N-cyclohexyl-N'-[2-(dimethylamino)-2-oxoethyl]carbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111634031
2-[[[(1-benzylpiperidin-4-yl)amino]-[2-(4-fluorophenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111229560

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-phenylethylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-phenylethylamino)methylidene]amino]acetamide (CID 110039543) is N,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-phenylethylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-phenylethylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-phenylethylamino)methylidene]amino]acetamide is CC1CCCC(N/C(=N/CC(=O)N(C)C)NCCc2ccccc2)C1.
What is the InChIKey of N,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-phenylethylamino)methylidene]amino]acetamide?
The InChIKey is KHWXXGZZVIAADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-16-8-7-11-18(14-16)23-20(22-15-19(25)24(2)3)21-13-12-17-9-5-4-6-10-17/h4-6,9-10,16,18H,7-8,11-15H2,1-3H3,(H2,21,22,23).
What are the key properties of N,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-phenylethylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-phenylethylamino)methylidene]amino]acetamide has a molecular weight of 344.50 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-phenylethylamino)methylidene]amino]acetamide is sourced from PubChem (CID 110039543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).