N-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]benzamide

C19H30N4O — CID 109498538

IUPACN-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]benzamide
SMILESC=CCCCN(C)/C(=N/CCCNC(=O)c1ccccc1)NCC
InChIInChI=1S/C19H30N4O/c1-4-6-10-16-23(3)19(20-5-2)22-15-11-14-21-18(24)17-12-8-7-9-13-17/h4,7-9,12-13H,1,5-6,10-11,14-16H2,2-3H3,(H,20,22)(H,21,24)
InChIKeyCQLPHZXYZFANNO-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.67
Rot. Bonds10

About N-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]benzamide

N-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]benzamide (PubChem CID 109498538) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]benzamide.

Molecular Properties

Compound NameN-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]benzamide
PubChem CID109498538
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]benzamide
SMILESC=CCCCN(C)/C(=N/CCCNC(=O)c1ccccc1)NCC
InChIInChI=1S/C19H30N4O/c1-4-6-10-16-23(3)19(20-5-2)22-15-11-14-21-18(24)17-12-8-7-9-13-17/h4,7-9,12-13H,1,5-6,10-11,14-16H2,2-3H3,(H,20,22)(H,21,24)
InChIKeyCQLPHZXYZFANNO-UHFFFAOYSA-N
XLogP2.67
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]thiophene-2-carboxamide;hydroiodide
CID 109496557
N-[2-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]ethyl]-3-methoxybenzamide
CID 109496462
N-[3-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]propyl]benzamide
CID 111009965
N-[3-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]propyl]-3-methylfuran-2-carboxamide
CID 109483085
N-benzyl-3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]-N-methylpropanamide;hydroiodide
CID 109498091
2-(2-benzylsulfinylethyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine
CID 109498246
N-[3-[[ethylamino-(prop-2-enylamino)methylidene]amino]propyl]benzamide;hydroiodide
CID 136925803
3-ethyl-2-[3-(methanesulfonamido)propyl]-1-methyl-1-pent-4-enylguanidine
CID 109496490
3-ethyl-2-(3-methoxypropyl)-1-methyl-1-pent-4-enylguanidine
CID 109498492
3-ethyl-2-[3-(4-hydroxyphenyl)propyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide
CID 109497347
N-[4-[2-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]ethyl]phenyl]acetamide
CID 109498912
3-bromo-N-[3-[(N,N'-dimethyl-N-pent-4-enylcarbamimidoyl)amino]propyl]benzamide;hydroiodide
CID 109497592

Frequently Asked Questions

What is the IUPAC name of N-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]benzamide?
The IUPAC name of N-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]benzamide (CID 109498538) is N-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]benzamide.
What is the SMILES notation for N-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]benzamide?
The canonical SMILES for N-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]benzamide is C=CCCCN(C)/C(=N/CCCNC(=O)c1ccccc1)NCC.
What is the InChIKey of N-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]benzamide?
The InChIKey is CQLPHZXYZFANNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-4-6-10-16-23(3)19(20-5-2)22-15-11-14-21-18(24)17-12-8-7-9-13-17/h4,7-9,12-13H,1,5-6,10-11,14-16H2,2-3H3,(H,20,22)(H,21,24).
What are the key properties of N-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]benzamide?
N-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]benzamide has a molecular weight of 330.48 g/mol, XLogP of 2.67, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]benzamide is sourced from PubChem (CID 109498538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).