N-(6-amino-4-methoxy-5-methyl-6-oxohexan-3-yl)-4-(dimethylamino)-3-methoxy-5-methylheptanamide

C19H39N3O4 — CID 139470005

IUPACN-(6-amino-4-methoxy-5-methyl-6-oxohexan-3-yl)-4-(dimethylamino)-3-methoxy-5-methylheptanamide
SMILESCCC(C)C(C(CC(=O)NC(CC)C(OC)C(C)C(N)=O)OC)N(C)C
InChIInChI=1S/C19H39N3O4/c1-9-12(3)17(22(5)6)15(25-7)11-16(23)21-14(10-2)18(26-8)13(4)19(20)24/h12-15,17-18H,9-11H2,1-8H3,(H2,20,24)(H,21,23)
InChIKeyMMKCWJFMEXDWRK-UHFFFAOYSA-N
MW373.54 g/mol
LogP1.40
Rot. Bonds13

About N-(6-amino-4-methoxy-5-methyl-6-oxohexan-3-yl)-4-(dimethylamino)-3-methoxy-5-methylheptanamide

N-(6-amino-4-methoxy-5-methyl-6-oxohexan-3-yl)-4-(dimethylamino)-3-methoxy-5-methylheptanamide (PubChem CID 139470005) has the molecular formula C19H39N3O4 and a molecular weight of 373.54 g/mol. Its IUPAC name is N-(6-amino-4-methoxy-5-methyl-6-oxohexan-3-yl)-4-(dimethylamino)-3-methoxy-5-methylheptanamide.

Molecular Properties

Compound NameN-(6-amino-4-methoxy-5-methyl-6-oxohexan-3-yl)-4-(dimethylamino)-3-methoxy-5-methylheptanamide
PubChem CID139470005
Molecular FormulaC19H39N3O4
Molecular Weight373.54 g/mol
Exact Mass373.29
IUPAC NameN-(6-amino-4-methoxy-5-methyl-6-oxohexan-3-yl)-4-(dimethylamino)-3-methoxy-5-methylheptanamide
SMILESCCC(C)C(C(CC(=O)NC(CC)C(OC)C(C)C(N)=O)OC)N(C)C
InChIInChI=1S/C19H39N3O4/c1-9-12(3)17(22(5)6)15(25-7)11-16(23)21-14(10-2)18(26-8)13(4)19(20)24/h12-15,17-18H,9-11H2,1-8H3,(H2,20,24)(H,21,23)
InChIKeyMMKCWJFMEXDWRK-UHFFFAOYSA-N
XLogP1.40
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S,5S)-4-[[(2S)-2,3-dimethylbutanoyl]-methylamino]-3-methoxy-5-methylheptanamide
CID 130377255
(3R,4S,5S)-N-[(5S,6R)-7-amino-5-methoxy-6-methyl-7-oxoheptyl]-3-methoxy-5-methyl-4-[methyl(3-methylbutanoyl)amino]heptanamide
CID 135219505
(3R,4S,5S)-4-[acetyl(methyl)amino]-3-methoxy-5-methylheptanamide
CID 153499920
4-[(2-aminoacetyl)-methylamino]-3-methoxy-5-methylheptanoic acid
CID 145301841
(2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide
CID 87725663
(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]propanoyl]-methylamino]-3-methoxy-5-methylheptanamide
CID 138546918
methyl (3R,4S,5S)-4-[[(2S)-2-ethyl-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoate
CID 148647459
(3R,4S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanamide
CID 146429033
3-methoxy-5-methyl-4-[methyl-[3-methyl-2-(methylamino)butanoyl]amino]heptanamide
CID 135182285
(3R,4S,5S)-N-[(5S,6R)-7-amino-5-methoxy-6-methyl-7-oxoheptyl]-3-methoxy-4,5-dimethylheptanamide
CID 163255328
(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-N-ethyl-3-methoxy-5-methylheptanamide
CID 147189500
(2R,3R)-2,3-dimethylpentanamide
CID 170847775

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-4-methoxy-5-methyl-6-oxohexan-3-yl)-4-(dimethylamino)-3-methoxy-5-methylheptanamide?
The IUPAC name of N-(6-amino-4-methoxy-5-methyl-6-oxohexan-3-yl)-4-(dimethylamino)-3-methoxy-5-methylheptanamide (CID 139470005) is N-(6-amino-4-methoxy-5-methyl-6-oxohexan-3-yl)-4-(dimethylamino)-3-methoxy-5-methylheptanamide.
What is the SMILES notation for N-(6-amino-4-methoxy-5-methyl-6-oxohexan-3-yl)-4-(dimethylamino)-3-methoxy-5-methylheptanamide?
The canonical SMILES for N-(6-amino-4-methoxy-5-methyl-6-oxohexan-3-yl)-4-(dimethylamino)-3-methoxy-5-methylheptanamide is CCC(C)C(C(CC(=O)NC(CC)C(OC)C(C)C(N)=O)OC)N(C)C.
What is the InChIKey of N-(6-amino-4-methoxy-5-methyl-6-oxohexan-3-yl)-4-(dimethylamino)-3-methoxy-5-methylheptanamide?
The InChIKey is MMKCWJFMEXDWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O4/c1-9-12(3)17(22(5)6)15(25-7)11-16(23)21-14(10-2)18(26-8)13(4)19(20)24/h12-15,17-18H,9-11H2,1-8H3,(H2,20,24)(H,21,23).
What are the key properties of N-(6-amino-4-methoxy-5-methyl-6-oxohexan-3-yl)-4-(dimethylamino)-3-methoxy-5-methylheptanamide?
N-(6-amino-4-methoxy-5-methyl-6-oxohexan-3-yl)-4-(dimethylamino)-3-methoxy-5-methylheptanamide has a molecular weight of 373.54 g/mol, XLogP of 1.40, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-4-methoxy-5-methyl-6-oxohexan-3-yl)-4-(dimethylamino)-3-methoxy-5-methylheptanamide is sourced from PubChem (CID 139470005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).