16-[acetyl(carbamimidoyl)amino]-11-oxohexadecanamide;hydrochloride

C19H37ClN4O3 — CID 88837410

IUPAC16-[acetyl(carbamimidoyl)amino]-11-oxohexadecanamide;hydrochloride
SMILESCl.[H]/N=C(\N)N(CCCCCC(=O)CCCCCCCCCC(N)=O)C(C)=O
InChIInChI=1S/C19H36N4O3.ClH/c1-16(24)23(19(21)22)15-11-7-9-13-17(25)12-8-5-3-2-4-6-10-14-18(20)26;/h2-15H2,1H3,(H2,20,26)(H3,21,22);1H
InChIKeyJMNYZRSLNSWASW-UHFFFAOYSA-N
MW404.98 g/mol
LogP3.28
Rot. Bonds16

About 16-[acetyl(carbamimidoyl)amino]-11-oxohexadecanamide;hydrochloride

16-[acetyl(carbamimidoyl)amino]-11-oxohexadecanamide;hydrochloride (PubChem CID 88837410) has the molecular formula C19H37ClN4O3 and a molecular weight of 404.98 g/mol. Its IUPAC name is 16-[acetyl(carbamimidoyl)amino]-11-oxohexadecanamide;hydrochloride.

Molecular Properties

Compound Name16-[acetyl(carbamimidoyl)amino]-11-oxohexadecanamide;hydrochloride
PubChem CID88837410
Molecular FormulaC19H37ClN4O3
Molecular Weight404.98 g/mol
Exact Mass404.26
IUPAC Name16-[acetyl(carbamimidoyl)amino]-11-oxohexadecanamide;hydrochloride
SMILESCl.[H]/N=C(\N)N(CCCCCC(=O)CCCCCCCCCC(N)=O)C(C)=O
InChIInChI=1S/C19H36N4O3.ClH/c1-16(24)23(19(21)22)15-11-7-9-13-17(25)12-8-5-3-2-4-6-10-14-18(20)26;/h2-15H2,1H3,(H2,20,26)(H3,21,22);1H
InChIKeyJMNYZRSLNSWASW-UHFFFAOYSA-N
XLogP3.28
TPSA130.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.98
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

1-hydroxy-1-(13-oxotetradecyl)guanidine
CID 135039596
acetic acid;1-dodecyl-1-methylguanidine
CID 23124067
acetic acid;1,1-dioctylguanidine
CID 71338115
(2S)-2-amino-5-[carbamimidoyl(tetradecanoyl)amino]pentanoic acid
CID 87374783
methyl 5-[carbamimidoyl(methyl)amino]pentanoate
CID 87620883
docosanediamide;hexacosanediamide
CID 129179979
dodecanediamide;nonanediamide
CID 175017820
pentadecanediamide
CID 87429217
nonatetracontanediamide
CID 162734608
4-oxotetradecanamide
CID 176888940
13-acetamido-8-oxotridecanamide
CID 158027008
acetamide;decanamide;dihydrochloride
CID 141131942

Frequently Asked Questions

What is the IUPAC name of 16-[acetyl(carbamimidoyl)amino]-11-oxohexadecanamide;hydrochloride?
The IUPAC name of 16-[acetyl(carbamimidoyl)amino]-11-oxohexadecanamide;hydrochloride (CID 88837410) is 16-[acetyl(carbamimidoyl)amino]-11-oxohexadecanamide;hydrochloride.
What is the SMILES notation for 16-[acetyl(carbamimidoyl)amino]-11-oxohexadecanamide;hydrochloride?
The canonical SMILES for 16-[acetyl(carbamimidoyl)amino]-11-oxohexadecanamide;hydrochloride is Cl.[H]/N=C(\N)N(CCCCCC(=O)CCCCCCCCCC(N)=O)C(C)=O.
What is the InChIKey of 16-[acetyl(carbamimidoyl)amino]-11-oxohexadecanamide;hydrochloride?
The InChIKey is JMNYZRSLNSWASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O3.ClH/c1-16(24)23(19(21)22)15-11-7-9-13-17(25)12-8-5-3-2-4-6-10-14-18(20)26;/h2-15H2,1H3,(H2,20,26)(H3,21,22);1H.
What are the key properties of 16-[acetyl(carbamimidoyl)amino]-11-oxohexadecanamide;hydrochloride?
16-[acetyl(carbamimidoyl)amino]-11-oxohexadecanamide;hydrochloride has a molecular weight of 404.98 g/mol, XLogP of 3.28, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[acetyl(carbamimidoyl)amino]-11-oxohexadecanamide;hydrochloride is sourced from PubChem (CID 88837410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).