N-cyclopropyl-2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide

C18H28N4O — CID 111649430

IUPACN-cyclopropyl-2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CC1)NCCc1cc(C)cc(C)c1
InChIInChI=1S/C18H28N4O/c1-4-19-18(21-12-17(23)22-16-5-6-16)20-8-7-15-10-13(2)9-14(3)11-15/h9-11,16H,4-8,12H2,1-3H3,(H,22,23)(H2,19,20,21)
InChIKeySPRWELHHLPNVRX-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.68
Rot. Bonds7

About N-cyclopropyl-2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide

N-cyclopropyl-2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide (PubChem CID 111649430) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide
PubChem CID111649430
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-cyclopropyl-2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CC1)NCCc1cc(C)cc(C)c1
InChIInChI=1S/C18H28N4O/c1-4-19-18(21-12-17(23)22-16-5-6-16)20-8-7-15-10-13(2)9-14(3)11-15/h9-11,16H,4-8,12H2,1-3H3,(H,22,23)(H2,19,20,21)
InChIKeySPRWELHHLPNVRX-UHFFFAOYSA-N
XLogP1.68
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.68
H-Bond Donors ≤ 53
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

N-cyclopropyl-4-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]butanamide;hydroiodide
CID 111649683
2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-propylacetamide
CID 111648720
2-[[[2-(4-tert-butylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide
CID 111891963
N-cyclopropyl-2-[[[2-(3,4-diethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide
CID 111246377
N-cyclopropyl-2-[[ethylamino-[2-[4-(trifluoromethyl)phenyl]ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111295894
3-[2-[[N'-[2-(cyclopropylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111634142
N-cyclopropyl-2-[[[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-(ethylamino)methylidene]amino]acetamide
CID 111563542
N-cyclohexyl-2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide
CID 111214935
1-[2-(3,5-dimethylphenyl)ethyl]-3-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 111649042
N-cyclopropyl-2-[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]acetamide
CID 111894403
2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111648744
N-cyclopropyl-2-[[ethylamino-[2-(2,4,6-trichlorophenoxy)ethylamino]methylidene]amino]acetamide
CID 109464460

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide (CID 111649430) is N-cyclopropyl-2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide is CCN/C(=N\CC(=O)NC1CC1)NCCc1cc(C)cc(C)c1.
What is the InChIKey of N-cyclopropyl-2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide?
The InChIKey is SPRWELHHLPNVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-4-19-18(21-12-17(23)22-16-5-6-16)20-8-7-15-10-13(2)9-14(3)11-15/h9-11,16H,4-8,12H2,1-3H3,(H,22,23)(H2,19,20,21).
What are the key properties of N-cyclopropyl-2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide?
N-cyclopropyl-2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide has a molecular weight of 316.45 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide is sourced from PubChem (CID 111649430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).