N-[3-[[[ethylamino-(hexylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide

C18H31IN4O — CID 111160878

IUPACN-[3-[[[ethylamino-(hexylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
SMILESCCCCCCN/C(=N/Cc1cccc(NC(C)=O)c1)NCC.I
InChIInChI=1S/C18H30N4O.HI/c1-4-6-7-8-12-20-18(19-5-2)21-14-16-10-9-11-17(13-16)22-15(3)23;/h9-11,13H,4-8,12,14H2,1-3H3,(H,22,23)(H2,19,20,21);1H
InChIKeyCUDWFKPVNGAQBB-UHFFFAOYSA-N
MW446.38 g/mol
LogP3.90
Rot. Bonds9

About N-[3-[[[ethylamino-(hexylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide

N-[3-[[[ethylamino-(hexylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide (PubChem CID 111160878) has the molecular formula C18H31IN4O and a molecular weight of 446.38 g/mol. Its IUPAC name is N-[3-[[[ethylamino-(hexylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide.

Molecular Properties

Compound NameN-[3-[[[ethylamino-(hexylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
PubChem CID111160878
Molecular FormulaC18H31IN4O
Molecular Weight446.38 g/mol
Exact Mass446.15
IUPAC NameN-[3-[[[ethylamino-(hexylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
SMILESCCCCCCN/C(=N/Cc1cccc(NC(C)=O)c1)NCC.I
InChIInChI=1S/C18H30N4O.HI/c1-4-6-7-8-12-20-18(19-5-2)21-14-16-10-9-11-17(13-16)22-15(3)23;/h9-11,13H,4-8,12,14H2,1-3H3,(H,22,23)(H2,19,20,21);1H
InChIKeyCUDWFKPVNGAQBB-UHFFFAOYSA-N
XLogP3.90
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.38
LogP ≤ 53.90
H-Bond Donors ≤ 53
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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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CID 111128460
N-[3-[[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]methyl]phenyl]acetamide
CID 111896011
N-[3-[[[ethylamino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
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CID 111128620
N-[3-[[[[2-(4-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]methyl]phenyl]acetamide
CID 111196932
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CID 111161949
N-[3-[[[ethylamino-(2-phenylpropylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111342614
N-[3-[[[ethylamino(propylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111226100
N-[3-[[[[3-(3-ethoxy-4-methoxyphenyl)propylamino]-(ethylamino)methylidene]amino]methyl]phenyl]acetamide
CID 111574723
N-[3-[[[ethylamino-(2-methylsulfanylethylamino)methylidene]amino]methyl]phenyl]butanamide;hydroiodide
CID 111344094
N-[3-[2-[(N'-benzyl-N-ethylcarbamimidoyl)amino]ethoxy]phenyl]acetamide;hydroiodide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[[[ethylamino-(hexylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide?
The IUPAC name of N-[3-[[[ethylamino-(hexylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide (CID 111160878) is N-[3-[[[ethylamino-(hexylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide.
What is the SMILES notation for N-[3-[[[ethylamino-(hexylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide?
The canonical SMILES for N-[3-[[[ethylamino-(hexylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide is CCCCCCN/C(=N/Cc1cccc(NC(C)=O)c1)NCC.I.
What is the InChIKey of N-[3-[[[ethylamino-(hexylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide?
The InChIKey is CUDWFKPVNGAQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O.HI/c1-4-6-7-8-12-20-18(19-5-2)21-14-16-10-9-11-17(13-16)22-15(3)23;/h9-11,13H,4-8,12,14H2,1-3H3,(H,22,23)(H2,19,20,21);1H.
What are the key properties of N-[3-[[[ethylamino-(hexylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide?
N-[3-[[[ethylamino-(hexylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide has a molecular weight of 446.38 g/mol, XLogP of 3.90, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[ethylamino-(hexylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide is sourced from PubChem (CID 111160878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).