N-carbamimidoyl-N-carbamoyldodecanamide

C14H28N4O2 — CID 154094348

IUPACN-carbamimidoyl-N-carbamoyldodecanamide
SMILES[H]/N=C(\N)N(C(N)=O)C(=O)CCCCCCCCCCC
InChIInChI=1S/C14H28N4O2/c1-2-3-4-5-6-7-8-9-10-11-12(19)18(13(15)16)14(17)20/h2-11H2,1H3,(H3,15,16)(H2,17,20)
InChIKeyAGVHIRMDKLOFKK-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.71
Rot. Bonds10

About N-carbamimidoyl-N-carbamoyldodecanamide

N-carbamimidoyl-N-carbamoyldodecanamide (PubChem CID 154094348) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-carbamimidoyl-N-carbamoyldodecanamide.

Molecular Properties

Compound NameN-carbamimidoyl-N-carbamoyldodecanamide
PubChem CID154094348
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC NameN-carbamimidoyl-N-carbamoyldodecanamide
SMILES[H]/N=C(\N)N(C(N)=O)C(=O)CCCCCCCCCCC
InChIInChI=1S/C14H28N4O2/c1-2-3-4-5-6-7-8-9-10-11-12(19)18(13(15)16)14(17)20/h2-11H2,1H3,(H3,15,16)(H2,17,20)
InChIKeyAGVHIRMDKLOFKK-UHFFFAOYSA-N
XLogP2.71
TPSA113.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.71
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'}

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Related Compounds

N-carbamimidoyl-N-cyanooctadecanamide
CID 154089236
[carbamimidoyl(methyl)amino] octadecanoate
CID 141088289
N-(2-aminoacetyl)-N-octanoyloctanamide
CID 175927090
(2S)-2-amino-5-[carbamimidoyl(tetradecanoyl)amino]pentanoic acid
CID 87374783
sodium;[2-[carbamimidoyl(methyl)amino]acetyl] dodecanoate;hydride
CID 174417342
N,N-bis(2-hydroxyacetyl)tetradecanamide
CID 141047117
acetic acid;1-dodecyl-1-methylguanidine
CID 23124067
acetic acid;1,1-dioctylguanidine
CID 71338115
N-(2-chloroacetyl)-N-icosanoylicosanamide
CID 162712848
1-dodecyl-1-pentylguanidine
CID 88762865
1,1-didodecylguanidine
CID 23103902
(2S)-2-[amino(hexadecanoyl)amino]heptanamide
CID 163848056

Frequently Asked Questions

What is the IUPAC name of N-carbamimidoyl-N-carbamoyldodecanamide?
The IUPAC name of N-carbamimidoyl-N-carbamoyldodecanamide (CID 154094348) is N-carbamimidoyl-N-carbamoyldodecanamide.
What is the SMILES notation for N-carbamimidoyl-N-carbamoyldodecanamide?
The canonical SMILES for N-carbamimidoyl-N-carbamoyldodecanamide is [H]/N=C(\N)N(C(N)=O)C(=O)CCCCCCCCCCC.
What is the InChIKey of N-carbamimidoyl-N-carbamoyldodecanamide?
The InChIKey is AGVHIRMDKLOFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-2-3-4-5-6-7-8-9-10-11-12(19)18(13(15)16)14(17)20/h2-11H2,1H3,(H3,15,16)(H2,17,20).
What are the key properties of N-carbamimidoyl-N-carbamoyldodecanamide?
N-carbamimidoyl-N-carbamoyldodecanamide has a molecular weight of 284.40 g/mol, XLogP of 2.71, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamimidoyl-N-carbamoyldodecanamide is sourced from PubChem (CID 154094348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).