N-(3,14-diaminotetradecyl)-4-iodobenzamide

C21H36IN3O — CID 69435446

IUPACN-(3,14-diaminotetradecyl)-4-iodobenzamide
SMILESNCCCCCCCCCCCC(N)CCNC(=O)c1ccc(I)cc1
InChIInChI=1S/C21H36IN3O/c22-19-13-11-18(12-14-19)21(26)25-17-15-20(24)10-8-6-4-2-1-3-5-7-9-16-23/h11-14,20H,1-10,15-17,23-24H2,(H,25,26)
InChIKeyPWNBQKRPXTVYJI-UHFFFAOYSA-N
MW473.44 g/mol
LogP4.60
Rot. Bonds15

About N-(3,14-diaminotetradecyl)-4-iodobenzamide

N-(3,14-diaminotetradecyl)-4-iodobenzamide (PubChem CID 69435446) has the molecular formula C21H36IN3O and a molecular weight of 473.44 g/mol. Its IUPAC name is N-(3,14-diaminotetradecyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(3,14-diaminotetradecyl)-4-iodobenzamide
PubChem CID69435446
Molecular FormulaC21H36IN3O
Molecular Weight473.44 g/mol
Exact Mass473.19
IUPAC NameN-(3,14-diaminotetradecyl)-4-iodobenzamide
SMILESNCCCCCCCCCCCC(N)CCNC(=O)c1ccc(I)cc1
InChIInChI=1S/C21H36IN3O/c22-19-13-11-18(12-14-19)21(26)25-17-15-20(24)10-8-6-4-2-1-3-5-7-9-16-23/h11-14,20H,1-10,15-17,23-24H2,(H,25,26)
InChIKeyPWNBQKRPXTVYJI-UHFFFAOYSA-N
XLogP4.60
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.44
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N-(3-methylbutyl)benzamide
CID 2232834
4-iodo-N-(6-iodohexyl)benzamide
CID 107848472
N-(5-aminopentyl)-4-hydroxybenzamide
CID 11459592
4-iodo-N-(3-iodopropyl)benzamide
CID 114504016
1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
CID 11053215
4-iodo-N-(5-methylsulfanylpentyl)benzamide
CID 104920149
4-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 79039211
19,28-diaminooctacosanoic acid;terephthalic acid
CID 90300456
N-(5,6-diaminohexyl)-3,4,5-trihydroxybenzamide;dihydrochloride
CID 134157962
N-(2-amino-2-oxoethyl)-4-iodobenzamide
CID 60668486
4-iodo-N-(3-methylsulfonylpropyl)benzamide
CID 47261727

Frequently Asked Questions

What is the IUPAC name of N-(3,14-diaminotetradecyl)-4-iodobenzamide?
The IUPAC name of N-(3,14-diaminotetradecyl)-4-iodobenzamide (CID 69435446) is N-(3,14-diaminotetradecyl)-4-iodobenzamide.
What is the SMILES notation for N-(3,14-diaminotetradecyl)-4-iodobenzamide?
The canonical SMILES for N-(3,14-diaminotetradecyl)-4-iodobenzamide is NCCCCCCCCCCCC(N)CCNC(=O)c1ccc(I)cc1.
What is the InChIKey of N-(3,14-diaminotetradecyl)-4-iodobenzamide?
The InChIKey is PWNBQKRPXTVYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36IN3O/c22-19-13-11-18(12-14-19)21(26)25-17-15-20(24)10-8-6-4-2-1-3-5-7-9-16-23/h11-14,20H,1-10,15-17,23-24H2,(H,25,26).
What are the key properties of N-(3,14-diaminotetradecyl)-4-iodobenzamide?
N-(3,14-diaminotetradecyl)-4-iodobenzamide has a molecular weight of 473.44 g/mol, XLogP of 4.60, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,14-diaminotetradecyl)-4-iodobenzamide is sourced from PubChem (CID 69435446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).