N-benzyl-3-[bis(ethylamino)methylideneamino]propanamide

C15H24N4O — CID 110916950

IUPACN-benzyl-3-[bis(ethylamino)methylideneamino]propanamide
SMILESCCNC(=NCCC(=O)NCc1ccccc1)NCC
InChIInChI=1S/C15H24N4O/c1-3-16-15(17-4-2)18-11-10-14(20)19-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,19,20)(H2,16,17,18)
InChIKeyDUTGKMVTHCLKLC-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.27
Rot. Bonds7

About N-benzyl-3-[bis(ethylamino)methylideneamino]propanamide

N-benzyl-3-[bis(ethylamino)methylideneamino]propanamide (PubChem CID 110916950) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-benzyl-3-[bis(ethylamino)methylideneamino]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[bis(ethylamino)methylideneamino]propanamide
PubChem CID110916950
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-benzyl-3-[bis(ethylamino)methylideneamino]propanamide
SMILESCCNC(=NCCC(=O)NCc1ccccc1)NCC
InChIInChI=1S/C15H24N4O/c1-3-16-15(17-4-2)18-11-10-14(20)19-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,19,20)(H2,16,17,18)
InChIKeyDUTGKMVTHCLKLC-UHFFFAOYSA-N
XLogP1.27
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.27
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-benzyl-3-[[N'-(2-ethoxyethyl)-N-ethylcarbamimidoyl]amino]propanamide
CID 111897161
N-benzyl-3-[[ethylamino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propanamide;hydroiodide
CID 111169397
N-benzyl-3-[[N-ethyl-N'-(2-methylsulfanylethyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111345368
N-benzyl-3-[[N-ethyl-N'-(4-methylsulfanylbutyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111627825
N-benzyl-3-[[[5-(diethylamino)pentan-2-ylamino]-(ethylamino)methylidene]amino]propanamide
CID 110998809
N-benzyl-3-[[[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-(ethylamino)methylidene]amino]propanamide
CID 111563374
N-benzyl-3-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]propanamide;hydroiodide
CID 109457513
2-[[N'-[2-(benzylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylacetamide
CID 111364637
1,3-diethyl-2-(2-phenylethyl)guanidine
CID 110913976
N-benzyl-3-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]propanamide;hydroiodide
CID 109437320
3-[[amino-(4-ethylanilino)methylidene]amino]-N-benzylpropanamide;hydroiodide
CID 111092279
N-benzyl-2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]acetamide
CID 111383766

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[bis(ethylamino)methylideneamino]propanamide?
The IUPAC name of N-benzyl-3-[bis(ethylamino)methylideneamino]propanamide (CID 110916950) is N-benzyl-3-[bis(ethylamino)methylideneamino]propanamide.
What is the SMILES notation for N-benzyl-3-[bis(ethylamino)methylideneamino]propanamide?
The canonical SMILES for N-benzyl-3-[bis(ethylamino)methylideneamino]propanamide is CCNC(=NCCC(=O)NCc1ccccc1)NCC.
What is the InChIKey of N-benzyl-3-[bis(ethylamino)methylideneamino]propanamide?
The InChIKey is DUTGKMVTHCLKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-16-15(17-4-2)18-11-10-14(20)19-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,19,20)(H2,16,17,18).
What are the key properties of N-benzyl-3-[bis(ethylamino)methylideneamino]propanamide?
N-benzyl-3-[bis(ethylamino)methylideneamino]propanamide has a molecular weight of 276.38 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[bis(ethylamino)methylideneamino]propanamide is sourced from PubChem (CID 110916950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).