N-ethyl-2-methyl-N-[3-[[[(Z)-non-5-en-4-ylidene]amino]methylamino]propyl]butanamide

C20H39N3O — CID 123815456

IUPACN-ethyl-2-methyl-N-[3-[[[(Z)-non-5-en-4-ylidene]amino]methylamino]propyl]butanamide
SMILESCCC/C=C\C(CCC)=NCNCCCN(CC)C(=O)C(C)CC
InChIInChI=1S/C20H39N3O/c1-6-10-11-14-19(13-7-2)22-17-21-15-12-16-23(9-4)20(24)18(5)8-3/h11,14,18,21H,6-10,12-13,15-17H2,1-5H3/b14-11-,22-19?
InChIKeyZODLOBMHSZGSLQ-NTBIOLFQSA-N
MW337.55 g/mol
LogP4.42
Rot. Bonds14

About N-ethyl-2-methyl-N-[3-[[[(Z)-non-5-en-4-ylidene]amino]methylamino]propyl]butanamide

N-ethyl-2-methyl-N-[3-[[[(Z)-non-5-en-4-ylidene]amino]methylamino]propyl]butanamide (PubChem CID 123815456) has the molecular formula C20H39N3O and a molecular weight of 337.55 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[3-[[[(Z)-non-5-en-4-ylidene]amino]methylamino]propyl]butanamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[3-[[[(Z)-non-5-en-4-ylidene]amino]methylamino]propyl]butanamide
PubChem CID123815456
Molecular FormulaC20H39N3O
Molecular Weight337.55 g/mol
Exact Mass337.31
IUPAC NameN-ethyl-2-methyl-N-[3-[[[(Z)-non-5-en-4-ylidene]amino]methylamino]propyl]butanamide
SMILESCCC/C=C\C(CCC)=NCNCCCN(CC)C(=O)C(C)CC
InChIInChI=1S/C20H39N3O/c1-6-10-11-14-19(13-7-2)22-17-21-15-12-16-23(9-4)20(24)18(5)8-3/h11,14,18,21H,6-10,12-13,15-17H2,1-5H3/b14-11-,22-19?
InChIKeyZODLOBMHSZGSLQ-NTBIOLFQSA-N
XLogP4.42
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.55
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-N-[(Z)-3-methyliminohept-4-enyl]-2-propan-2-ylbutanamide
CID 144369828
ethane;1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide;molecular hydrogen
CID 169170351
3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-pentylpropanamide
CID 78328121
N-[(Z,3Z)-3-[2-(dimethylamino)propan-2-ylimino]hept-4-enyl]acetamide
CID 143997780

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[3-[[[(Z)-non-5-en-4-ylidene]amino]methylamino]propyl]butanamide?
The IUPAC name of N-ethyl-2-methyl-N-[3-[[[(Z)-non-5-en-4-ylidene]amino]methylamino]propyl]butanamide (CID 123815456) is N-ethyl-2-methyl-N-[3-[[[(Z)-non-5-en-4-ylidene]amino]methylamino]propyl]butanamide.
What is the SMILES notation for N-ethyl-2-methyl-N-[3-[[[(Z)-non-5-en-4-ylidene]amino]methylamino]propyl]butanamide?
The canonical SMILES for N-ethyl-2-methyl-N-[3-[[[(Z)-non-5-en-4-ylidene]amino]methylamino]propyl]butanamide is CCC/C=C\C(CCC)=NCNCCCN(CC)C(=O)C(C)CC.
What is the InChIKey of N-ethyl-2-methyl-N-[3-[[[(Z)-non-5-en-4-ylidene]amino]methylamino]propyl]butanamide?
The InChIKey is ZODLOBMHSZGSLQ-NTBIOLFQSA-N. The full InChI is InChI=1S/C20H39N3O/c1-6-10-11-14-19(13-7-2)22-17-21-15-12-16-23(9-4)20(24)18(5)8-3/h11,14,18,21H,6-10,12-13,15-17H2,1-5H3/b14-11-,22-19?.
What are the key properties of N-ethyl-2-methyl-N-[3-[[[(Z)-non-5-en-4-ylidene]amino]methylamino]propyl]butanamide?
N-ethyl-2-methyl-N-[3-[[[(Z)-non-5-en-4-ylidene]amino]methylamino]propyl]butanamide has a molecular weight of 337.55 g/mol, XLogP of 4.42, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[3-[[[(Z)-non-5-en-4-ylidene]amino]methylamino]propyl]butanamide is sourced from PubChem (CID 123815456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).