2-butyl-2-(5-carbamoylnonan-5-ylamino)hexanamide

C20H41N3O2 — CID 173317820

IUPAC2-butyl-2-(5-carbamoylnonan-5-ylamino)hexanamide
SMILESCCCCC(CCCC)(NC(CCCC)(CCCC)C(N)=O)C(N)=O
InChIInChI=1S/C20H41N3O2/c1-5-9-13-19(17(21)24,14-10-6-2)23-20(18(22)25,15-11-7-3)16-12-8-4/h23H,5-16H2,1-4H3,(H2,21,24)(H2,22,25)
InChIKeyVYCMXTKEOMTIHY-UHFFFAOYSA-N
MW355.57 g/mol
LogP3.79
Rot. Bonds16

About 2-butyl-2-(5-carbamoylnonan-5-ylamino)hexanamide

2-butyl-2-(5-carbamoylnonan-5-ylamino)hexanamide (PubChem CID 173317820) has the molecular formula C20H41N3O2 and a molecular weight of 355.57 g/mol. Its IUPAC name is 2-butyl-2-(5-carbamoylnonan-5-ylamino)hexanamide.

Molecular Properties

Compound Name2-butyl-2-(5-carbamoylnonan-5-ylamino)hexanamide
PubChem CID173317820
Molecular FormulaC20H41N3O2
Molecular Weight355.57 g/mol
Exact Mass355.32
IUPAC Name2-butyl-2-(5-carbamoylnonan-5-ylamino)hexanamide
SMILESCCCCC(CCCC)(NC(CCCC)(CCCC)C(N)=O)C(N)=O
InChIInChI=1S/C20H41N3O2/c1-5-9-13-19(17(21)24,14-10-6-2)23-20(18(22)25,15-11-7-3)16-12-8-4/h23H,5-16H2,1-4H3,(H2,21,24)(H2,22,25)
InChIKeyVYCMXTKEOMTIHY-UHFFFAOYSA-N
XLogP3.79
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.57
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 63950844
2-tert-butyl-2-methylhexanamide
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CID 18943167
2-amino-2-cyanohexanamide
CID 174604442
2,2,4,4-tetramethyloctanamide
CID 89265851
2,2-dimethylhexadecanamide
CID 23297438
2,2-dimethyldecanamide
CID 22596903
2-icosyl-2-pentyldocosanamide
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2-butyl-2-formamidohexanoic acid
CID 121217700
2-methyl-2-(methylamino)heptanamide
CID 80557436
2-fluoro-2-propan-2-ylhexanamide
CID 54054711
2-ethyl-2-pentylheptanamide
CID 87709137

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-(5-carbamoylnonan-5-ylamino)hexanamide?
The IUPAC name of 2-butyl-2-(5-carbamoylnonan-5-ylamino)hexanamide (CID 173317820) is 2-butyl-2-(5-carbamoylnonan-5-ylamino)hexanamide.
What is the SMILES notation for 2-butyl-2-(5-carbamoylnonan-5-ylamino)hexanamide?
The canonical SMILES for 2-butyl-2-(5-carbamoylnonan-5-ylamino)hexanamide is CCCCC(CCCC)(NC(CCCC)(CCCC)C(N)=O)C(N)=O.
What is the InChIKey of 2-butyl-2-(5-carbamoylnonan-5-ylamino)hexanamide?
The InChIKey is VYCMXTKEOMTIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3O2/c1-5-9-13-19(17(21)24,14-10-6-2)23-20(18(22)25,15-11-7-3)16-12-8-4/h23H,5-16H2,1-4H3,(H2,21,24)(H2,22,25).
What are the key properties of 2-butyl-2-(5-carbamoylnonan-5-ylamino)hexanamide?
2-butyl-2-(5-carbamoylnonan-5-ylamino)hexanamide has a molecular weight of 355.57 g/mol, XLogP of 3.79, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-(5-carbamoylnonan-5-ylamino)hexanamide is sourced from PubChem (CID 173317820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).