(4S)-4-[tert-butyl(methyl)amino]-6,6-dimethyl-5-oxoheptanamide

C14H28N2O2 — CID 170423984

IUPAC(4S)-4-[tert-butyl(methyl)amino]-6,6-dimethyl-5-oxoheptanamide
SMILESCN([C@@H](CCC(N)=O)C(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-13(2,3)12(18)10(8-9-11(15)17)16(7)14(4,5)6/h10H,8-9H2,1-7H3,(H2,15,17)/t10-/m0/s1
InChIKeyWHOYBCWARGVPDU-JTQLQIEISA-N
MW256.39 g/mol
LogP1.97
Rot. Bonds5

About (4S)-4-[tert-butyl(methyl)amino]-6,6-dimethyl-5-oxoheptanamide

(4S)-4-[tert-butyl(methyl)amino]-6,6-dimethyl-5-oxoheptanamide (PubChem CID 170423984) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(methyl)amino]-6,6-dimethyl-5-oxoheptanamide.

Molecular Properties

Compound Name(4S)-4-[tert-butyl(methyl)amino]-6,6-dimethyl-5-oxoheptanamide
PubChem CID170423984
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(4S)-4-[tert-butyl(methyl)amino]-6,6-dimethyl-5-oxoheptanamide
SMILESCN([C@@H](CCC(N)=O)C(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-13(2,3)12(18)10(8-9-11(15)17)16(7)14(4,5)6/h10H,8-9H2,1-7H3,(H2,15,17)/t10-/m0/s1
InChIKeyWHOYBCWARGVPDU-JTQLQIEISA-N
XLogP1.97
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[tert-butyl(methyl)amino]-5,5-dimethyl-4-oxohexanamide
CID 176616493
(2R)-2-[tert-butyl(methyl)amino]-4,4-dimethyl-1-sulfanylpentan-3-one
CID 176616481
(2R)-2-[tert-butyl(methyl)amino]-1-cyclohexyl-4,4-dimethylpentan-3-one
CID 138500128
(4S)-4-(dimethylamino)-5-oxohexanamide
CID 59048247
(4S)-4-amino-5,5-dimethylhexanamide
CID 171725194
6-[tert-butyl(methyl)amino]-2-iodo-2,8-dimethylnonane-3,7-dione
CID 166714269
tert-butyl N-[(4S)-1-amino-6,6-dimethyl-1,5-dioxoheptan-4-yl]carbamate
CID 140914884
(4S)-4-[1-iodoethyl(methyl)amino]-6-methyl-5-oxoheptanamide
CID 146233687
5-amino-2-(dichloroamino)-5-oxopentanoic acid
CID 21446182
(2S)-5-amino-2-[methyl(prop-2-enyl)amino]-5-oxopentanoic acid
CID 87879167
4,4-dimethylpentanamide;hydrochloride
CID 141202343
(2S)-5-amino-2-[(1,1-dihydroxyethylamino)-propylamino]-5-oxopentanoic acid
CID 88599002

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[tert-butyl(methyl)amino]-6,6-dimethyl-5-oxoheptanamide?
The IUPAC name of (4S)-4-[tert-butyl(methyl)amino]-6,6-dimethyl-5-oxoheptanamide (CID 170423984) is (4S)-4-[tert-butyl(methyl)amino]-6,6-dimethyl-5-oxoheptanamide.
What is the SMILES notation for (4S)-4-[tert-butyl(methyl)amino]-6,6-dimethyl-5-oxoheptanamide?
The canonical SMILES for (4S)-4-[tert-butyl(methyl)amino]-6,6-dimethyl-5-oxoheptanamide is CN([C@@H](CCC(N)=O)C(=O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (4S)-4-[tert-butyl(methyl)amino]-6,6-dimethyl-5-oxoheptanamide?
The InChIKey is WHOYBCWARGVPDU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2,3)12(18)10(8-9-11(15)17)16(7)14(4,5)6/h10H,8-9H2,1-7H3,(H2,15,17)/t10-/m0/s1.
What are the key properties of (4S)-4-[tert-butyl(methyl)amino]-6,6-dimethyl-5-oxoheptanamide?
(4S)-4-[tert-butyl(methyl)amino]-6,6-dimethyl-5-oxoheptanamide has a molecular weight of 256.39 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[tert-butyl(methyl)amino]-6,6-dimethyl-5-oxoheptanamide is sourced from PubChem (CID 170423984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).