N-cyclopropyl-2-[[ethylamino-[3-(4-methoxyphenyl)butylamino]methylidene]amino]acetamide

C19H30N4O2 — CID 111641542

IUPACN-cyclopropyl-2-[[ethylamino-[3-(4-methoxyphenyl)butylamino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CC1)NCCC(C)c1ccc(OC)cc1
InChIInChI=1S/C19H30N4O2/c1-4-20-19(22-13-18(24)23-16-7-8-16)21-12-11-14(2)15-5-9-17(25-3)10-6-15/h5-6,9-10,14,16H,4,7-8,11-13H2,1-3H3,(H,23,24)(H2,20,21,22)
InChIKeyYLQBXEPOHRCJNT-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.02
Rot. Bonds9

About N-cyclopropyl-2-[[ethylamino-[3-(4-methoxyphenyl)butylamino]methylidene]amino]acetamide

N-cyclopropyl-2-[[ethylamino-[3-(4-methoxyphenyl)butylamino]methylidene]amino]acetamide (PubChem CID 111641542) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-cyclopropyl-2-[[ethylamino-[3-(4-methoxyphenyl)butylamino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[ethylamino-[3-(4-methoxyphenyl)butylamino]methylidene]amino]acetamide
PubChem CID111641542
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-cyclopropyl-2-[[ethylamino-[3-(4-methoxyphenyl)butylamino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CC1)NCCC(C)c1ccc(OC)cc1
InChIInChI=1S/C19H30N4O2/c1-4-20-19(22-13-18(24)23-16-7-8-16)21-12-11-14(2)15-5-9-17(25-3)10-6-15/h5-6,9-10,14,16H,4,7-8,11-13H2,1-3H3,(H,23,24)(H2,20,21,22)
InChIKeyYLQBXEPOHRCJNT-UHFFFAOYSA-N
XLogP2.02
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[[ethylamino-[3-(4-methoxyphenyl)butylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111641538
N-cyclopropyl-4-[[N-[3-(4-methoxyphenyl)butyl]-N'-methylcarbamimidoyl]amino]butanamide
CID 111640974
N-cyclopropyl-2-[[ethylamino-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]methylidene]amino]acetamide;hydroiodide
CID 111309049
N-cyclopropyl-2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]acetamide
CID 111678470
methyl 3-[[N-ethyl-N'-[3-(4-methoxyphenyl)butyl]carbamimidoyl]amino]propanoate
CID 111641564
1-ethyl-3-[3-(4-methoxyphenyl)butyl]-2-(3-methoxypropyl)guanidine;hydroiodide
CID 111641223
1-[4-[[ethylamino-[3-(4-methoxyphenyl)butylamino]methylidene]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 111641243
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-ethyl-3-[3-(4-methoxyphenyl)butyl]guanidine;hydroiodide
CID 111641827
N-cyclopropyl-4-[[N-ethyl-N'-[(4-methoxyphenyl)methyl]carbamimidoyl]amino]butanamide
CID 111182878
N-ethyl-3-[[[ethylamino-[3-(4-methoxyphenyl)butylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111641195
1-ethyl-3-(2-ethylsulfonylethyl)-2-[3-(4-methoxyphenyl)butyl]guanidine
CID 111641824
1-ethyl-3-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)butyl]guanidine
CID 111641230

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[ethylamino-[3-(4-methoxyphenyl)butylamino]methylidene]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[ethylamino-[3-(4-methoxyphenyl)butylamino]methylidene]amino]acetamide (CID 111641542) is N-cyclopropyl-2-[[ethylamino-[3-(4-methoxyphenyl)butylamino]methylidene]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[ethylamino-[3-(4-methoxyphenyl)butylamino]methylidene]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[ethylamino-[3-(4-methoxyphenyl)butylamino]methylidene]amino]acetamide is CCN/C(=N\CC(=O)NC1CC1)NCCC(C)c1ccc(OC)cc1.
What is the InChIKey of N-cyclopropyl-2-[[ethylamino-[3-(4-methoxyphenyl)butylamino]methylidene]amino]acetamide?
The InChIKey is YLQBXEPOHRCJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-4-20-19(22-13-18(24)23-16-7-8-16)21-12-11-14(2)15-5-9-17(25-3)10-6-15/h5-6,9-10,14,16H,4,7-8,11-13H2,1-3H3,(H,23,24)(H2,20,21,22).
What are the key properties of N-cyclopropyl-2-[[ethylamino-[3-(4-methoxyphenyl)butylamino]methylidene]amino]acetamide?
N-cyclopropyl-2-[[ethylamino-[3-(4-methoxyphenyl)butylamino]methylidene]amino]acetamide has a molecular weight of 346.48 g/mol, XLogP of 2.02, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[ethylamino-[3-(4-methoxyphenyl)butylamino]methylidene]amino]acetamide is sourced from PubChem (CID 111641542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).