1-N,10-N-diheptyl-1-N,10-N-dimethyldecane-1,1,10,10-tetracarboxamide

C30H58N4O4 — CID 142691443

IUPAC1-N,10-N-diheptyl-1-N,10-N-dimethyldecane-1,1,10,10-tetracarboxamide
SMILESCCCCCCCN(C)C(=O)C(CCCCCCCCC(C(N)=O)C(=O)N(C)CCCCCCC)C(N)=O
InChIInChI=1S/C30H58N4O4/c1-5-7-9-15-19-23-33(3)29(37)25(27(31)35)21-17-13-11-12-14-18-22-26(28(32)36)30(38)34(4)24-20-16-10-8-6-2/h25-26H,5-24H2,1-4H3,(H2,31,35)(H2,32,36)
InChIKeyKOLHMBYPYLLLPQ-UHFFFAOYSA-N
MW538.82 g/mol
LogP5.17
Rot. Bonds25

About 1-N,10-N-diheptyl-1-N,10-N-dimethyldecane-1,1,10,10-tetracarboxamide

1-N,10-N-diheptyl-1-N,10-N-dimethyldecane-1,1,10,10-tetracarboxamide (PubChem CID 142691443) has the molecular formula C30H58N4O4 and a molecular weight of 538.82 g/mol. Its IUPAC name is 1-N,10-N-diheptyl-1-N,10-N-dimethyldecane-1,1,10,10-tetracarboxamide.

Molecular Properties

Compound Name1-N,10-N-diheptyl-1-N,10-N-dimethyldecane-1,1,10,10-tetracarboxamide
PubChem CID142691443
Molecular FormulaC30H58N4O4
Molecular Weight538.82 g/mol
Exact Mass538.45
IUPAC Name1-N,10-N-diheptyl-1-N,10-N-dimethyldecane-1,1,10,10-tetracarboxamide
SMILESCCCCCCCN(C)C(=O)C(CCCCCCCCC(C(N)=O)C(=O)N(C)CCCCCCC)C(N)=O
InChIInChI=1S/C30H58N4O4/c1-5-7-9-15-19-23-33(3)29(37)25(27(31)35)21-17-13-11-12-14-18-22-26(28(32)36)30(38)34(4)24-20-16-10-8-6-2/h25-26H,5-24H2,1-4H3,(H2,31,35)(H2,32,36)
InChIKeyKOLHMBYPYLLLPQ-UHFFFAOYSA-N
XLogP5.17
TPSA126.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.82
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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CID 14944519
N,N'-dibutyl-N,N'-dimethyl-2-octadecylpropanediamide
CID 71348515
2-carbamoylhexadecanoic acid
CID 172818471
2-hexyl-N-[8-[8-[2-hexyldecanoyl(methyl)amino]octyl-methylamino]octyl]-N-methyldecanamide
CID 168943795
2-amino-N-butyl-N-methylheptanamide;hydrochloride
CID 140973823
2-carbamoylheptanoic acid;hydrochloride
CID 175556394
2-(1-hydroxyethenyl)tetradecanamide
CID 141206460
2-butylpropanediamide
CID 2317243
N,N'-diheptyl-2-methoxy-N,N'-dimethylpropanediamide
CID 614798
3-amino-2-hydroxy-N-methyl-N-pentylpropanamide
CID 115180815
N-hexyl-N',2-dimethyl-N,N'-dioctylpropanediamide
CID 87219265
(2R,3S)-2,3-dihydroxy-N-methyl-N-pentylbutanamide
CID 143155247

Frequently Asked Questions

What is the IUPAC name of 1-N,10-N-diheptyl-1-N,10-N-dimethyldecane-1,1,10,10-tetracarboxamide?
The IUPAC name of 1-N,10-N-diheptyl-1-N,10-N-dimethyldecane-1,1,10,10-tetracarboxamide (CID 142691443) is 1-N,10-N-diheptyl-1-N,10-N-dimethyldecane-1,1,10,10-tetracarboxamide.
What is the SMILES notation for 1-N,10-N-diheptyl-1-N,10-N-dimethyldecane-1,1,10,10-tetracarboxamide?
The canonical SMILES for 1-N,10-N-diheptyl-1-N,10-N-dimethyldecane-1,1,10,10-tetracarboxamide is CCCCCCCN(C)C(=O)C(CCCCCCCCC(C(N)=O)C(=O)N(C)CCCCCCC)C(N)=O.
What is the InChIKey of 1-N,10-N-diheptyl-1-N,10-N-dimethyldecane-1,1,10,10-tetracarboxamide?
The InChIKey is KOLHMBYPYLLLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58N4O4/c1-5-7-9-15-19-23-33(3)29(37)25(27(31)35)21-17-13-11-12-14-18-22-26(28(32)36)30(38)34(4)24-20-16-10-8-6-2/h25-26H,5-24H2,1-4H3,(H2,31,35)(H2,32,36).
What are the key properties of 1-N,10-N-diheptyl-1-N,10-N-dimethyldecane-1,1,10,10-tetracarboxamide?
1-N,10-N-diheptyl-1-N,10-N-dimethyldecane-1,1,10,10-tetracarboxamide has a molecular weight of 538.82 g/mol, XLogP of 5.17, 25 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,10-N-diheptyl-1-N,10-N-dimethyldecane-1,1,10,10-tetracarboxamide is sourced from PubChem (CID 142691443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).