N-[2-(3,3-dimethylbutylamino)-2-oxoethyl]-6-methyl-N-(3-methylbutyl)-5-oxoheptanamide

C21H40N2O3 — CID 121263449

IUPACN-[2-(3,3-dimethylbutylamino)-2-oxoethyl]-6-methyl-N-(3-methylbutyl)-5-oxoheptanamide
SMILESCC(C)CCN(CC(=O)NCCC(C)(C)C)C(=O)CCCC(=O)C(C)C
InChIInChI=1S/C21H40N2O3/c1-16(2)11-14-23(15-19(25)22-13-12-21(5,6)7)20(26)10-8-9-18(24)17(3)4/h16-17H,8-15H2,1-7H3,(H,22,25)
InChIKeyFMGNJEZEGIOULW-UHFFFAOYSA-N
MW368.56 g/mol
LogP3.81
Rot. Bonds12

About N-[2-(3,3-dimethylbutylamino)-2-oxoethyl]-6-methyl-N-(3-methylbutyl)-5-oxoheptanamide

N-[2-(3,3-dimethylbutylamino)-2-oxoethyl]-6-methyl-N-(3-methylbutyl)-5-oxoheptanamide (PubChem CID 121263449) has the molecular formula C21H40N2O3 and a molecular weight of 368.56 g/mol. Its IUPAC name is N-[2-(3,3-dimethylbutylamino)-2-oxoethyl]-6-methyl-N-(3-methylbutyl)-5-oxoheptanamide.

Molecular Properties

Compound NameN-[2-(3,3-dimethylbutylamino)-2-oxoethyl]-6-methyl-N-(3-methylbutyl)-5-oxoheptanamide
PubChem CID121263449
Molecular FormulaC21H40N2O3
Molecular Weight368.56 g/mol
Exact Mass368.30
IUPAC NameN-[2-(3,3-dimethylbutylamino)-2-oxoethyl]-6-methyl-N-(3-methylbutyl)-5-oxoheptanamide
SMILESCC(C)CCN(CC(=O)NCCC(C)(C)C)C(=O)CCCC(=O)C(C)C
InChIInChI=1S/C21H40N2O3/c1-16(2)11-14-23(15-19(25)22-13-12-21(5,6)7)20(26)10-8-9-18(24)17(3)4/h16-17H,8-15H2,1-7H3,(H,22,25)
InChIKeyFMGNJEZEGIOULW-UHFFFAOYSA-N
XLogP3.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.56
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(3,3-dimethylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide
CID 121263348
2-[butyl(3-methylbutyl)amino]-N-(3,3-dimethylbutyl)acetamide
CID 121265189
4,4-dimethyl-N-(3-methylbutyl)pentanamide
CID 135139773
2-[acetyl(3-methylbutyl)amino]-N-[3-(dimethylamino)propyl]acetamide
CID 113166468
4-(methylamino)-N,N-bis(3-methylbutyl)butanamide;hydrochloride
CID 119672594
tert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-2-oxoethyl]amino]propyl]carbamate
CID 163895962
2-[[2-(3,3-dimethylbutylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 119913153
3-methyl-N-[2-[3-methylbutanoyl(3-methylbutyl)amino]ethyl]butanamide
CID 176987317
N-[2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-propylpropanamide
CID 121263921
2-[acetyl(3-methoxypropyl)amino]-N-(3-methylbutyl)acetamide
CID 113160067
6-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxoheptanamide
CID 176717444
2,6-dimethylheptane;2,7-dimethyloctan-3-one
CID 161345057

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-dimethylbutylamino)-2-oxoethyl]-6-methyl-N-(3-methylbutyl)-5-oxoheptanamide?
The IUPAC name of N-[2-(3,3-dimethylbutylamino)-2-oxoethyl]-6-methyl-N-(3-methylbutyl)-5-oxoheptanamide (CID 121263449) is N-[2-(3,3-dimethylbutylamino)-2-oxoethyl]-6-methyl-N-(3-methylbutyl)-5-oxoheptanamide.
What is the SMILES notation for N-[2-(3,3-dimethylbutylamino)-2-oxoethyl]-6-methyl-N-(3-methylbutyl)-5-oxoheptanamide?
The canonical SMILES for N-[2-(3,3-dimethylbutylamino)-2-oxoethyl]-6-methyl-N-(3-methylbutyl)-5-oxoheptanamide is CC(C)CCN(CC(=O)NCCC(C)(C)C)C(=O)CCCC(=O)C(C)C.
What is the InChIKey of N-[2-(3,3-dimethylbutylamino)-2-oxoethyl]-6-methyl-N-(3-methylbutyl)-5-oxoheptanamide?
The InChIKey is FMGNJEZEGIOULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O3/c1-16(2)11-14-23(15-19(25)22-13-12-21(5,6)7)20(26)10-8-9-18(24)17(3)4/h16-17H,8-15H2,1-7H3,(H,22,25).
What are the key properties of N-[2-(3,3-dimethylbutylamino)-2-oxoethyl]-6-methyl-N-(3-methylbutyl)-5-oxoheptanamide?
N-[2-(3,3-dimethylbutylamino)-2-oxoethyl]-6-methyl-N-(3-methylbutyl)-5-oxoheptanamide has a molecular weight of 368.56 g/mol, XLogP of 3.81, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-dimethylbutylamino)-2-oxoethyl]-6-methyl-N-(3-methylbutyl)-5-oxoheptanamide is sourced from PubChem (CID 121263449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).