N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide

C18H36N2O — CID 28552099

IUPACN-[2-(cyclododecylamino)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC1CCCCCCCCCCC1
InChIInChI=1S/C18H36N2O/c1-16(2)18(21)20-15-14-19-17-12-10-8-6-4-3-5-7-9-11-13-17/h16-17,19H,3-15H2,1-2H3,(H,20,21)
InChIKeyQWVZWSLFISPLHL-UHFFFAOYSA-N
MW296.50 g/mol
LogP4.02
Rot. Bonds5

About N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide

N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide (PubChem CID 28552099) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(cyclododecylamino)ethyl]-2-methylpropanamide
PubChem CID28552099
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN-[2-(cyclododecylamino)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC1CCCCCCCCCCC1
InChIInChI=1S/C18H36N2O/c1-16(2)18(21)20-15-14-19-17-12-10-8-6-4-3-5-7-9-11-13-17/h16-17,19H,3-15H2,1-2H3,(H,20,21)
InChIKeyQWVZWSLFISPLHL-UHFFFAOYSA-N
XLogP4.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexylamino)ethyl]-2-methylpropanamide
CID 28651344
N-[2-(cycloheptylamino)ethyl]-2-cyclopropylpropanamide
CID 81482446
N-[2-[[2-(cyclopentylamino)acetyl]amino]ethyl]-2-methylpropanamide
CID 61248306
2-methyl-N-[2-[(1-propan-2-ylazepan-4-yl)amino]ethyl]propanamide
CID 65072399
N-[2-(cyclononylamino)ethyl]acetamide
CID 154969023
N-[2-[(2-cyclohexylcyclohexyl)amino]ethyl]-2-methylpropanamide
CID 43223719
2-methyl-N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]propanamide
CID 64755259
N-[2-(cycloheptylamino)ethyl]-2-pyrazol-1-ylpropanamide
CID 81424644
methyl N-[2-(cycloheptylamino)ethyl]carbamate
CID 115306508
2-acetamido-N-[2-(cycloheptylamino)ethyl]-2-cyclopentylacetamide;hydrochloride
CID 119619470
N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-2-methylpropanamide
CID 80693383
N-[2-(cycloheptylamino)ethyl]-2-(2-ethoxyethoxy)propanamide;hydrochloride
CID 119620567

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide (CID 28552099) is N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNC1CCCCCCCCCCC1.
What is the InChIKey of N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide?
The InChIKey is QWVZWSLFISPLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-16(2)18(21)20-15-14-19-17-12-10-8-6-4-3-5-7-9-11-13-17/h16-17,19H,3-15H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide?
N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide has a molecular weight of 296.50 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide is sourced from PubChem (CID 28552099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).