N-[(4-tert-butylphenyl)methyl]-N-[5-(diethylamino)pentan-2-yl]decanamide

C30H54N2O — CID 5115616

IUPACN-[(4-tert-butylphenyl)methyl]-N-[5-(diethylamino)pentan-2-yl]decanamide
SMILESCCCCCCCCCC(=O)N(Cc1ccc(C(C)(C)C)cc1)C(C)CCCN(CC)CC
InChIInChI=1S/C30H54N2O/c1-8-11-12-13-14-15-16-19-29(33)32(26(4)18-17-24-31(9-2)10-3)25-27-20-22-28(23-21-27)30(5,6)7/h20-23,26H,8-19,24-25H2,1-7H3
InChIKeyQUVMPWKDYPHUFT-UHFFFAOYSA-N
MW458.78 g/mol
LogP7.96
Rot. Bonds17

About N-[(4-tert-butylphenyl)methyl]-N-[5-(diethylamino)pentan-2-yl]decanamide

N-[(4-tert-butylphenyl)methyl]-N-[5-(diethylamino)pentan-2-yl]decanamide (PubChem CID 5115616) has the molecular formula C30H54N2O and a molecular weight of 458.78 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-N-[5-(diethylamino)pentan-2-yl]decanamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-N-[5-(diethylamino)pentan-2-yl]decanamide
PubChem CID5115616
Molecular FormulaC30H54N2O
Molecular Weight458.78 g/mol
Exact Mass458.42
IUPAC NameN-[(4-tert-butylphenyl)methyl]-N-[5-(diethylamino)pentan-2-yl]decanamide
SMILESCCCCCCCCCC(=O)N(Cc1ccc(C(C)(C)C)cc1)C(C)CCCN(CC)CC
InChIInChI=1S/C30H54N2O/c1-8-11-12-13-14-15-16-19-29(33)32(26(4)18-17-24-31(9-2)10-3)25-27-20-22-28(23-21-27)30(5,6)7/h20-23,26H,8-19,24-25H2,1-7H3
InChIKeyQUVMPWKDYPHUFT-UHFFFAOYSA-N
XLogP7.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.78
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(diethylamino)pentan-2-yl]-N-[(E)-4-[5-(diethylamino)pentan-2-yl-hexadecanoylamino]but-2-enyl]hexadecanamide
CID 6149819
3-benzyl-1-[(4-tert-butylphenyl)methyl]-1-[5-(diethylamino)pentan-2-yl]urea
CID 42704635
N-(4-aminophenyl)-N-[(2R)-5-(diethylamino)pentan-2-yl]hexadecanamide
CID 98525194
N-(4-aminophenyl)-N-[(2S)-5-(diethylamino)pentan-2-yl]hexadecanamide
CID 98525192
N-[(4-tert-butylphenyl)methyl]-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)heptanamide
CID 42725308
N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]heptanamide
CID 5097311
N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]octanamide
CID 5168715
N-[(4-tert-butylphenyl)methyl]-N-[5-(diethylamino)pentan-2-yl]benzenesulfonamide
CID 42704638
N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(1-phenylethyl)dodecanamide
CID 42699290
butyl-[5-(diethylamino)pentan-2-yl]carbamic acid
CID 57352771
N-butyl-2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide
CID 132713177
[4-[[[(2R)-butan-2-yl]-heptanoylamino]methyl]phenyl] ethanesulfonate
CID 7439298

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-[5-(diethylamino)pentan-2-yl]decanamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-[5-(diethylamino)pentan-2-yl]decanamide (CID 5115616) is N-[(4-tert-butylphenyl)methyl]-N-[5-(diethylamino)pentan-2-yl]decanamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-N-[5-(diethylamino)pentan-2-yl]decanamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-N-[5-(diethylamino)pentan-2-yl]decanamide is CCCCCCCCCC(=O)N(Cc1ccc(C(C)(C)C)cc1)C(C)CCCN(CC)CC.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-N-[5-(diethylamino)pentan-2-yl]decanamide?
The InChIKey is QUVMPWKDYPHUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54N2O/c1-8-11-12-13-14-15-16-19-29(33)32(26(4)18-17-24-31(9-2)10-3)25-27-20-22-28(23-21-27)30(5,6)7/h20-23,26H,8-19,24-25H2,1-7H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-N-[5-(diethylamino)pentan-2-yl]decanamide?
N-[(4-tert-butylphenyl)methyl]-N-[5-(diethylamino)pentan-2-yl]decanamide has a molecular weight of 458.78 g/mol, XLogP of 7.96, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-N-[5-(diethylamino)pentan-2-yl]decanamide is sourced from PubChem (CID 5115616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).