N-[5-[[[amino-(octylamino)methylidene]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide

C19H33IN4O2 — CID 111094525

IUPACN-[5-[[[amino-(octylamino)methylidene]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide
SMILESCCCCCCCCN/C(N)=N/Cc1ccc(OC)c(NC(C)=O)c1.I
InChIInChI=1S/C19H32N4O2.HI/c1-4-5-6-7-8-9-12-21-19(20)22-14-16-10-11-18(25-3)17(13-16)23-15(2)24;/h10-11,13H,4-9,12,14H2,1-3H3,(H,23,24)(H3,20,21,22);1H
InChIKeyCKWRFNAKEFLSDO-UHFFFAOYSA-N
MW476.40 g/mol
LogP4.04
Rot. Bonds11

About N-[5-[[[amino-(octylamino)methylidene]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide

N-[5-[[[amino-(octylamino)methylidene]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide (PubChem CID 111094525) has the molecular formula C19H33IN4O2 and a molecular weight of 476.40 g/mol. Its IUPAC name is N-[5-[[[amino-(octylamino)methylidene]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide.

Molecular Properties

Compound NameN-[5-[[[amino-(octylamino)methylidene]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide
PubChem CID111094525
Molecular FormulaC19H33IN4O2
Molecular Weight476.40 g/mol
Exact Mass476.16
IUPAC NameN-[5-[[[amino-(octylamino)methylidene]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide
SMILESCCCCCCCCN/C(N)=N/Cc1ccc(OC)c(NC(C)=O)c1.I
InChIInChI=1S/C19H32N4O2.HI/c1-4-5-6-7-8-9-12-21-19(20)22-14-16-10-11-18(25-3)17(13-16)23-15(2)24;/h10-11,13H,4-9,12,14H2,1-3H3,(H,23,24)(H3,20,21,22);1H
InChIKeyCKWRFNAKEFLSDO-UHFFFAOYSA-N
XLogP4.04
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.40
LogP ≤ 54.04
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[5-[[[amino-(3-methylbutylamino)methylidene]amino]methyl]-2-methoxyphenyl]acetamide
CID 111094514
methyl 5-[[[amino(butylamino)methylidene]amino]methyl]-2-methoxybenzoate;hydroiodide
CID 111063804
methyl 6-[[N'-[(3,4-dimethoxyphenyl)methyl]carbamimidoyl]amino]hexanoate;hydroiodide
CID 111029161
1-butyl-2-[(4-methoxy-3-methylphenyl)methyl]guanidine;hydroiodide
CID 111095699
N-[5-[[[amino-(tert-butylamino)methylidene]amino]methyl]-2-methoxyphenyl]acetamide
CID 111094528
2-[4-[[[amino(butylamino)methylidene]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide;hydroiodide
CID 111048109
N-[5-[[[amino-(4-butan-2-ylanilino)methylidene]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide
CID 111094511
1-hexyl-2-[(2-methoxy-5-nitrophenyl)methyl]guanidine
CID 111076433
2-[(3,4-dimethoxyphenyl)methyl]-1-[3-(ethylsulfonylamino)propyl]guanidine
CID 111093519
tert-butyl N-[3-[[N'-[(3,4-dimethoxyphenyl)methyl]carbamimidoyl]amino]propyl]carbamate
CID 111044730
2-[(3,4-dimethoxyphenyl)methyl]-1-[4-(4-methoxyphenyl)butyl]guanidine
CID 111975475
2-[(4-nitrophenyl)methyl]-1-octylguanidine;hydroiodide
CID 111064821

Frequently Asked Questions

What is the IUPAC name of N-[5-[[[amino-(octylamino)methylidene]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide?
The IUPAC name of N-[5-[[[amino-(octylamino)methylidene]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide (CID 111094525) is N-[5-[[[amino-(octylamino)methylidene]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide.
What is the SMILES notation for N-[5-[[[amino-(octylamino)methylidene]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide?
The canonical SMILES for N-[5-[[[amino-(octylamino)methylidene]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide is CCCCCCCCN/C(N)=N/Cc1ccc(OC)c(NC(C)=O)c1.I.
What is the InChIKey of N-[5-[[[amino-(octylamino)methylidene]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide?
The InChIKey is CKWRFNAKEFLSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2.HI/c1-4-5-6-7-8-9-12-21-19(20)22-14-16-10-11-18(25-3)17(13-16)23-15(2)24;/h10-11,13H,4-9,12,14H2,1-3H3,(H,23,24)(H3,20,21,22);1H.
What are the key properties of N-[5-[[[amino-(octylamino)methylidene]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide?
N-[5-[[[amino-(octylamino)methylidene]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide has a molecular weight of 476.40 g/mol, XLogP of 4.04, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[[amino-(octylamino)methylidene]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide is sourced from PubChem (CID 111094525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).