N,N'-dibutyl-N,N'-dimethyl-2-tetradecylpropanediamide

C27H54N2O2 — CID 14944519

IUPACN,N'-dibutyl-N,N'-dimethyl-2-tetradecylpropanediamide
SMILESCCCCCCCCCCCCCCC(C(=O)N(C)CCCC)C(=O)N(C)CCCC
InChIInChI=1S/C27H54N2O2/c1-6-9-12-13-14-15-16-17-18-19-20-21-22-25(26(30)28(4)23-10-7-2)27(31)29(5)24-11-8-3/h25H,6-24H2,1-5H3
InChIKeyQDRPSHIVUBISGI-UHFFFAOYSA-N
MW438.74 g/mol
LogP7.21
Rot. Bonds21

About N,N'-dibutyl-N,N'-dimethyl-2-tetradecylpropanediamide

N,N'-dibutyl-N,N'-dimethyl-2-tetradecylpropanediamide (PubChem CID 14944519) has the molecular formula C27H54N2O2 and a molecular weight of 438.74 g/mol. Its IUPAC name is N,N'-dibutyl-N,N'-dimethyl-2-tetradecylpropanediamide.

Molecular Properties

Compound NameN,N'-dibutyl-N,N'-dimethyl-2-tetradecylpropanediamide
PubChem CID14944519
Molecular FormulaC27H54N2O2
Molecular Weight438.74 g/mol
Exact Mass438.42
IUPAC NameN,N'-dibutyl-N,N'-dimethyl-2-tetradecylpropanediamide
SMILESCCCCCCCCCCCCCCC(C(=O)N(C)CCCC)C(=O)N(C)CCCC
InChIInChI=1S/C27H54N2O2/c1-6-9-12-13-14-15-16-17-18-19-20-21-22-25(26(30)28(4)23-10-7-2)27(31)29(5)24-11-8-3/h25H,6-24H2,1-5H3
InChIKeyQDRPSHIVUBISGI-UHFFFAOYSA-N
XLogP7.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.74
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N,N'-dibutyl-N,N'-dimethyl-2-octadecylpropanediamide
CID 71348515
1-N,10-N-diheptyl-1-N,10-N-dimethyldecane-1,1,10,10-tetracarboxamide
CID 142691443
2-amino-N-butyl-N-methylheptanamide;hydrochloride
CID 140973823
2-hexyl-N-[8-[8-[2-hexyldecanoyl(methyl)amino]octyl-methylamino]octyl]-N-methyldecanamide
CID 168943795
N-butyl-N,2-dimethylpropanamide
CID 21413636
(2S)-2-amino-N-butyl-N-methylhexanamide
CID 103830866
2-octylpropanedioic acid
CID 12972
2-nonacosylpropanedioic acid
CID 19851286
2-icosylpropanedioic acid
CID 11582738
N,N'-diheptyl-2-methoxy-N,N'-dimethylpropanediamide
CID 614798
N-hexyl-N',2-dimethyl-N,N'-dioctylpropanediamide
CID 87219265
N-butyl-N-methylcarbamate
CID 23071400

Frequently Asked Questions

What is the IUPAC name of N,N'-dibutyl-N,N'-dimethyl-2-tetradecylpropanediamide?
The IUPAC name of N,N'-dibutyl-N,N'-dimethyl-2-tetradecylpropanediamide (CID 14944519) is N,N'-dibutyl-N,N'-dimethyl-2-tetradecylpropanediamide.
What is the SMILES notation for N,N'-dibutyl-N,N'-dimethyl-2-tetradecylpropanediamide?
The canonical SMILES for N,N'-dibutyl-N,N'-dimethyl-2-tetradecylpropanediamide is CCCCCCCCCCCCCCC(C(=O)N(C)CCCC)C(=O)N(C)CCCC.
What is the InChIKey of N,N'-dibutyl-N,N'-dimethyl-2-tetradecylpropanediamide?
The InChIKey is QDRPSHIVUBISGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54N2O2/c1-6-9-12-13-14-15-16-17-18-19-20-21-22-25(26(30)28(4)23-10-7-2)27(31)29(5)24-11-8-3/h25H,6-24H2,1-5H3.
What are the key properties of N,N'-dibutyl-N,N'-dimethyl-2-tetradecylpropanediamide?
N,N'-dibutyl-N,N'-dimethyl-2-tetradecylpropanediamide has a molecular weight of 438.74 g/mol, XLogP of 7.21, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibutyl-N,N'-dimethyl-2-tetradecylpropanediamide is sourced from PubChem (CID 14944519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).