N-[4-[[[(3-ethoxypropylamino)-(ethylamino)methylidene]amino]methyl]phenyl]butanamide

C19H32N4O2 — CID 111224573

IUPACN-[4-[[[(3-ethoxypropylamino)-(ethylamino)methylidene]amino]methyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C/N=C(\NCC)NCCCOCC)cc1
InChIInChI=1S/C19H32N4O2/c1-4-8-18(24)23-17-11-9-16(10-12-17)15-22-19(20-5-2)21-13-7-14-25-6-3/h9-12H,4-8,13-15H2,1-3H3,(H,23,24)(H2,20,21,22)
InChIKeyZVPRHPQNFUINAI-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.91
Rot. Bonds11

About N-[4-[[[(3-ethoxypropylamino)-(ethylamino)methylidene]amino]methyl]phenyl]butanamide

N-[4-[[[(3-ethoxypropylamino)-(ethylamino)methylidene]amino]methyl]phenyl]butanamide (PubChem CID 111224573) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[4-[[[(3-ethoxypropylamino)-(ethylamino)methylidene]amino]methyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[[[(3-ethoxypropylamino)-(ethylamino)methylidene]amino]methyl]phenyl]butanamide
PubChem CID111224573
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-[4-[[[(3-ethoxypropylamino)-(ethylamino)methylidene]amino]methyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C/N=C(\NCC)NCCCOCC)cc1
InChIInChI=1S/C19H32N4O2/c1-4-8-18(24)23-17-11-9-16(10-12-17)15-22-19(20-5-2)21-13-7-14-25-6-3/h9-12H,4-8,13-15H2,1-3H3,(H,23,24)(H2,20,21,22)
InChIKeyZVPRHPQNFUINAI-UHFFFAOYSA-N
XLogP2.91
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

N-[4-[[[[2-(2-butoxyethoxy)ethylamino]-(ethylamino)methylidene]amino]methyl]phenyl]butanamide
CID 111693032
N-[4-[[[ethylamino-[3-(furan-2-ylmethoxy)propylamino]methylidene]amino]methyl]phenyl]butanamide;hydroiodide
CID 111399338
1-(3-ethoxypropyl)-3-ethyl-2-[(4-hydroxyphenyl)methyl]guanidine
CID 111223207
N-[3-[[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]methyl]phenyl]butanamide;hydroiodide
CID 111896476
3-[[N-(3-ethoxypropyl)-N'-[(4-methoxyphenyl)methyl]carbamimidoyl]amino]-N-phenylpropanamide;hydroiodide
CID 111123615
N-[4-[[[(3-butoxypropylamino)-(ethylamino)methylidene]amino]methyl]phenyl]-2-methylpropanamide
CID 111239841
N-[4-[[[(tert-butylamino)-(ethylamino)methylidene]amino]methyl]phenyl]butanamide;hydroiodide
CID 110965358
1-(3-ethoxypropyl)-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine
CID 110928223
2-[[(3-ethoxypropylamino)-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111224592
N-[4-[[[(4-ethoxybutylamino)-(ethylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111945507
1-(3-ethoxypropyl)-3-ethyl-2-[[4-(methylsulfonylmethyl)phenyl]methyl]guanidine
CID 111222671
1-(3-ethoxypropyl)-3-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]guanidine
CID 111221869

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[(3-ethoxypropylamino)-(ethylamino)methylidene]amino]methyl]phenyl]butanamide?
The IUPAC name of N-[4-[[[(3-ethoxypropylamino)-(ethylamino)methylidene]amino]methyl]phenyl]butanamide (CID 111224573) is N-[4-[[[(3-ethoxypropylamino)-(ethylamino)methylidene]amino]methyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[[[(3-ethoxypropylamino)-(ethylamino)methylidene]amino]methyl]phenyl]butanamide?
The canonical SMILES for N-[4-[[[(3-ethoxypropylamino)-(ethylamino)methylidene]amino]methyl]phenyl]butanamide is CCCC(=O)Nc1ccc(C/N=C(\NCC)NCCCOCC)cc1.
What is the InChIKey of N-[4-[[[(3-ethoxypropylamino)-(ethylamino)methylidene]amino]methyl]phenyl]butanamide?
The InChIKey is ZVPRHPQNFUINAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-4-8-18(24)23-17-11-9-16(10-12-17)15-22-19(20-5-2)21-13-7-14-25-6-3/h9-12H,4-8,13-15H2,1-3H3,(H,23,24)(H2,20,21,22).
What are the key properties of N-[4-[[[(3-ethoxypropylamino)-(ethylamino)methylidene]amino]methyl]phenyl]butanamide?
N-[4-[[[(3-ethoxypropylamino)-(ethylamino)methylidene]amino]methyl]phenyl]butanamide has a molecular weight of 348.49 g/mol, XLogP of 2.91, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[(3-ethoxypropylamino)-(ethylamino)methylidene]amino]methyl]phenyl]butanamide is sourced from PubChem (CID 111224573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).