N-(1,2-diamino-5-oxodocosan-2-yl)nonadecanamide

C41H83N3O2 — CID 143485924

IUPACN-(1,2-diamino-5-oxodocosan-2-yl)nonadecanamide
SMILESCCCCCCCCCCCCCCCCCCC(=O)NC(N)(CN)CCC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C41H83N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(46)44-41(43,38-42)37-36-39(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38,42-43H2,1-2H3,(H,44,46)
InChIKeyFJCVPXAPBXPJAQ-UHFFFAOYSA-N
MW650.13 g/mol
LogP11.98
Rot. Bonds38

About N-(1,2-diamino-5-oxodocosan-2-yl)nonadecanamide

N-(1,2-diamino-5-oxodocosan-2-yl)nonadecanamide (PubChem CID 143485924) has the molecular formula C41H83N3O2 and a molecular weight of 650.13 g/mol. Its IUPAC name is N-(1,2-diamino-5-oxodocosan-2-yl)nonadecanamide.

Molecular Properties

Compound NameN-(1,2-diamino-5-oxodocosan-2-yl)nonadecanamide
PubChem CID143485924
Molecular FormulaC41H83N3O2
Molecular Weight650.13 g/mol
Exact Mass649.65
IUPAC NameN-(1,2-diamino-5-oxodocosan-2-yl)nonadecanamide
SMILESCCCCCCCCCCCCCCCCCCC(=O)NC(N)(CN)CCC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C41H83N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(46)44-41(43,38-42)37-36-39(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38,42-43H2,1-2H3,(H,44,46)
InChIKeyFJCVPXAPBXPJAQ-UHFFFAOYSA-N
XLogP11.98
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds38
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.13
LogP ≤ 511.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]octanamide
CID 63767635
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CID 24905581
N-(1-amino-3-methylpentan-3-yl)nonanamide
CID 106164392
N-(1-amino-2,3-dimethylbutan-2-yl)decanamide
CID 115310393
N-(1-amino-2,3-dimethylbutan-2-yl)octanamide
CID 81486540
N-(1-amino-3-hydroxyhexan-3-yl)dodecanamide
CID 87068240
nonadecan-7-one
CID 12913434
pentacosane-7,19-dione
CID 139254510
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diamino-5-oxodocosan-2-yl)nonadecanamide?
The IUPAC name of N-(1,2-diamino-5-oxodocosan-2-yl)nonadecanamide (CID 143485924) is N-(1,2-diamino-5-oxodocosan-2-yl)nonadecanamide.
What is the SMILES notation for N-(1,2-diamino-5-oxodocosan-2-yl)nonadecanamide?
The canonical SMILES for N-(1,2-diamino-5-oxodocosan-2-yl)nonadecanamide is CCCCCCCCCCCCCCCCCCC(=O)NC(N)(CN)CCC(=O)CCCCCCCCCCCCCCCCC.
What is the InChIKey of N-(1,2-diamino-5-oxodocosan-2-yl)nonadecanamide?
The InChIKey is FJCVPXAPBXPJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H83N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(46)44-41(43,38-42)37-36-39(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38,42-43H2,1-2H3,(H,44,46).
What are the key properties of N-(1,2-diamino-5-oxodocosan-2-yl)nonadecanamide?
N-(1,2-diamino-5-oxodocosan-2-yl)nonadecanamide has a molecular weight of 650.13 g/mol, XLogP of 11.98, 38 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diamino-5-oxodocosan-2-yl)nonadecanamide is sourced from PubChem (CID 143485924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).