N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)dodecanamide

C26H40N2O2 — CID 42707913

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1
InChIInChI=1S/C26H40N2O2/c1-4-5-6-7-8-9-10-11-12-15-26(29)28(22-25-14-13-20-30-25)21-23-16-18-24(19-17-23)27(2)3/h13-14,16-20H,4-12,15,21-22H2,1-3H3
InChIKeyCLOLEDZVEZCSDT-UHFFFAOYSA-N
MW412.62 g/mol
LogP6.80
Rot. Bonds15

About N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)dodecanamide

N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)dodecanamide (PubChem CID 42707913) has the molecular formula C26H40N2O2 and a molecular weight of 412.62 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)dodecanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)dodecanamide
PubChem CID42707913
Molecular FormulaC26H40N2O2
Molecular Weight412.62 g/mol
Exact Mass412.31
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1
InChIInChI=1S/C26H40N2O2/c1-4-5-6-7-8-9-10-11-12-15-26(29)28(22-25-14-13-20-30-25)21-23-16-18-24(19-17-23)27(2)3/h13-14,16-20H,4-12,15,21-22H2,1-3H3
InChIKeyCLOLEDZVEZCSDT-UHFFFAOYSA-N
XLogP6.80
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.62
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]hexanamide
CID 60592362
N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide
CID 770757
N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 39834735
3-[furan-2-ylmethyl(pentanoyl)amino]propanoic acid
CID 82323491
N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)pentanamide
CID 42724557
[3-[[furan-2-ylmethyl(tetradecanoyl)amino]methyl]phenyl] ethanesulfonate
CID 42775973
[4-[[furan-2-ylmethyl(hexanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 5032192
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]nonanamide
CID 98396498
N-[[4-(dimethylamino)phenyl]methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 18861229
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide
CID 5238006
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide
CID 3358499
N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide
CID 4518534

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)dodecanamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)dodecanamide (CID 42707913) is N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)dodecanamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)dodecanamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)dodecanamide is CCCCCCCCCCCC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)dodecanamide?
The InChIKey is CLOLEDZVEZCSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O2/c1-4-5-6-7-8-9-10-11-12-15-26(29)28(22-25-14-13-20-30-25)21-23-16-18-24(19-17-23)27(2)3/h13-14,16-20H,4-12,15,21-22H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)dodecanamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)dodecanamide has a molecular weight of 412.62 g/mol, XLogP of 6.80, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)dodecanamide is sourced from PubChem (CID 42707913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).