N-(1-amino-2-methyl-3-oxotetradecyl)dodecanamide

C27H54N2O2 — CID 87974020

IUPACN-(1-amino-2-methyl-3-oxotetradecyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NC(N)C(C)C(=O)CCCCCCCCCCC
InChIInChI=1S/C27H54N2O2/c1-4-6-8-10-12-14-16-18-20-22-25(30)24(3)27(28)29-26(31)23-21-19-17-15-13-11-9-7-5-2/h24,27H,4-23,28H2,1-3H3,(H,29,31)
InChIKeyIJGGCJNDUWCRCL-UHFFFAOYSA-N
MW438.74 g/mol
LogP7.43
Rot. Bonds23

About N-(1-amino-2-methyl-3-oxotetradecyl)dodecanamide

N-(1-amino-2-methyl-3-oxotetradecyl)dodecanamide (PubChem CID 87974020) has the molecular formula C27H54N2O2 and a molecular weight of 438.74 g/mol. Its IUPAC name is N-(1-amino-2-methyl-3-oxotetradecyl)dodecanamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-3-oxotetradecyl)dodecanamide
PubChem CID87974020
Molecular FormulaC27H54N2O2
Molecular Weight438.74 g/mol
Exact Mass438.42
IUPAC NameN-(1-amino-2-methyl-3-oxotetradecyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NC(N)C(C)C(=O)CCCCCCCCCCC
InChIInChI=1S/C27H54N2O2/c1-4-6-8-10-12-14-16-18-20-22-25(30)24(3)27(28)29-26(31)23-21-19-17-15-13-11-9-7-5-2/h24,27H,4-23,28H2,1-3H3,(H,29,31)
InChIKeyIJGGCJNDUWCRCL-UHFFFAOYSA-N
XLogP7.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.74
LogP ≤ 57.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(2S)-3-oxododecan-2-yl]nonanamide
CID 160686948
2-amino-3-methyldodecan-4-one
CID 116612115
15-amino-16-methyltriacontane-14,17-dione
CID 175604628
N-pentan-2-ylundecanamide
CID 173258559
(3S)-2,3-dimethylnonadecan-4-one
CID 174010260
N-[(2R)-1-aminopropan-2-yl]nonanamide
CID 104873041
N-(1,2-diaminoethyl)heptanamide
CID 164724851
methyl 2-(hexadecanoylamino)-3-oxohexadecanoate
CID 102380444
N-heptan-2-yldodecanamide
CID 3484810
N-butan-2-ylnonanamide
CID 4188803
N-butan-2-ylhexacosanamide
CID 163047877
N-octadecan-2-ylhexadecanamide
CID 87600664

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-3-oxotetradecyl)dodecanamide?
The IUPAC name of N-(1-amino-2-methyl-3-oxotetradecyl)dodecanamide (CID 87974020) is N-(1-amino-2-methyl-3-oxotetradecyl)dodecanamide.
What is the SMILES notation for N-(1-amino-2-methyl-3-oxotetradecyl)dodecanamide?
The canonical SMILES for N-(1-amino-2-methyl-3-oxotetradecyl)dodecanamide is CCCCCCCCCCCC(=O)NC(N)C(C)C(=O)CCCCCCCCCCC.
What is the InChIKey of N-(1-amino-2-methyl-3-oxotetradecyl)dodecanamide?
The InChIKey is IJGGCJNDUWCRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54N2O2/c1-4-6-8-10-12-14-16-18-20-22-25(30)24(3)27(28)29-26(31)23-21-19-17-15-13-11-9-7-5-2/h24,27H,4-23,28H2,1-3H3,(H,29,31).
What are the key properties of N-(1-amino-2-methyl-3-oxotetradecyl)dodecanamide?
N-(1-amino-2-methyl-3-oxotetradecyl)dodecanamide has a molecular weight of 438.74 g/mol, XLogP of 7.43, 23 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-3-oxotetradecyl)dodecanamide is sourced from PubChem (CID 87974020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).