N'-cyclododecyl-N-(3-methylbutyl)butanediamide

C21H40N2O2 — CID 3884403

IUPACN'-cyclododecyl-N-(3-methylbutyl)butanediamide
SMILESCC(C)CCNC(=O)CCC(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C21H40N2O2/c1-18(2)16-17-22-20(24)14-15-21(25)23-19-12-10-8-6-4-3-5-7-9-11-13-19/h18-19H,3-17H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyUNHHSKQXIGAROZ-UHFFFAOYSA-N
MW352.56 g/mol
LogP4.72
Rot. Bonds7

About N'-cyclododecyl-N-(3-methylbutyl)butanediamide

N'-cyclododecyl-N-(3-methylbutyl)butanediamide (PubChem CID 3884403) has the molecular formula C21H40N2O2 and a molecular weight of 352.56 g/mol. Its IUPAC name is N'-cyclododecyl-N-(3-methylbutyl)butanediamide.

Molecular Properties

Compound NameN'-cyclododecyl-N-(3-methylbutyl)butanediamide
PubChem CID3884403
Molecular FormulaC21H40N2O2
Molecular Weight352.56 g/mol
Exact Mass352.31
IUPAC NameN'-cyclododecyl-N-(3-methylbutyl)butanediamide
SMILESCC(C)CCNC(=O)CCC(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C21H40N2O2/c1-18(2)16-17-22-20(24)14-15-21(25)23-19-12-10-8-6-4-3-5-7-9-11-13-19/h18-19H,3-17H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyUNHHSKQXIGAROZ-UHFFFAOYSA-N
XLogP4.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.56
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-3-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide
CID 79394037
3-[[4-(cyclopentylamino)-4-oxobutanoyl]amino]propanoic acid
CID 50968880
3,3-dicyclohexyl-N-(3-methylbutyl)propanamide
CID 171725760
(2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid
CID 2200165
3-amino-N-[3-(cyclohexylamino)-3-oxopropyl]butanamide;hydrochloride
CID 119741948
2-(cyclobutylamino)-N-(3-methylbutyl)acetamide
CID 62414172
(2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119299474
2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 47010650
N'-cycloheptyl-N-[3-(diethylamino)propyl]butanediamide
CID 46993948
N-cyclohexyl-3-methylbutanamide;methane
CID 161464891
N-cyclohexyl-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanamide
CID 60552327
4-(cycloheptylamino)-4-oxobutanoic acid
CID 2932888

Frequently Asked Questions

What is the IUPAC name of N'-cyclododecyl-N-(3-methylbutyl)butanediamide?
The IUPAC name of N'-cyclododecyl-N-(3-methylbutyl)butanediamide (CID 3884403) is N'-cyclododecyl-N-(3-methylbutyl)butanediamide.
What is the SMILES notation for N'-cyclododecyl-N-(3-methylbutyl)butanediamide?
The canonical SMILES for N'-cyclododecyl-N-(3-methylbutyl)butanediamide is CC(C)CCNC(=O)CCC(=O)NC1CCCCCCCCCCC1.
What is the InChIKey of N'-cyclododecyl-N-(3-methylbutyl)butanediamide?
The InChIKey is UNHHSKQXIGAROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O2/c1-18(2)16-17-22-20(24)14-15-21(25)23-19-12-10-8-6-4-3-5-7-9-11-13-19/h18-19H,3-17H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-cyclododecyl-N-(3-methylbutyl)butanediamide?
N'-cyclododecyl-N-(3-methylbutyl)butanediamide has a molecular weight of 352.56 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclododecyl-N-(3-methylbutyl)butanediamide is sourced from PubChem (CID 3884403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).