N-[2-[2-[[(2R)-2-hydroxy-3-methylbutanoyl]-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide

C17H33N3O4 — CID 138046465

IUPACN-[2-[2-[[(2R)-2-hydroxy-3-methylbutanoyl]-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC(=O)N(C)CCN(C)C(=O)[C@H](O)C(C)C
InChIInChI=1S/C17H33N3O4/c1-12(2)7-8-14(21)18-11-15(22)19(5)9-10-20(6)17(24)16(23)13(3)4/h12-13,16,23H,7-11H2,1-6H3,(H,18,21)/t16-/m1/s1
InChIKeyRKBOJCZRHAPFLP-MRXNPFEDSA-N
MW343.47 g/mol
LogP0.47
Rot. Bonds10

About N-[2-[2-[[(2R)-2-hydroxy-3-methylbutanoyl]-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide

N-[2-[2-[[(2R)-2-hydroxy-3-methylbutanoyl]-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide (PubChem CID 138046465) has the molecular formula C17H33N3O4 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[2-[2-[[(2R)-2-hydroxy-3-methylbutanoyl]-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-[2-[[(2R)-2-hydroxy-3-methylbutanoyl]-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide
PubChem CID138046465
Molecular FormulaC17H33N3O4
Molecular Weight343.47 g/mol
Exact Mass343.25
IUPAC NameN-[2-[2-[[(2R)-2-hydroxy-3-methylbutanoyl]-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC(=O)N(C)CCN(C)C(=O)[C@H](O)C(C)C
InChIInChI=1S/C17H33N3O4/c1-12(2)7-8-14(21)18-11-15(22)19(5)9-10-20(6)17(24)16(23)13(3)4/h12-13,16,23H,7-11H2,1-6H3,(H,18,21)/t16-/m1/s1
InChIKeyRKBOJCZRHAPFLP-MRXNPFEDSA-N
XLogP0.47
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-[(2-fluoro-3-methylbutanoyl)-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide
CID 138046468
N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119582150
3-[[2-(butanoylamino)acetyl]-methylamino]propanoic acid
CID 115596400
N-[(2R)-2-hydroxy-3-methylbutyl]-4-methylpentanamide
CID 97014440
N-[(2S)-2-hydroxy-3-methylbutyl]-4-methylpentanamide
CID 97014441
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-methylpentanoylamino)acetate
CID 56519548
N-[(2S)-2-hydroxypropyl]-4-methylpentanamide
CID 83030953
2-(butan-2-ylamino)-N-methyl-N-(3-methylbutyl)acetamide
CID 60964030
N-butyl-N'-methyl-N'-(4-methylpentyl)butanediamide;ethane
CID 169103058
4-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]pentanamide
CID 120565270
(2S)-2-[[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid
CID 119238547
4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pentanamide
CID 49396489

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[(2R)-2-hydroxy-3-methylbutanoyl]-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide?
The IUPAC name of N-[2-[2-[[(2R)-2-hydroxy-3-methylbutanoyl]-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide (CID 138046465) is N-[2-[2-[[(2R)-2-hydroxy-3-methylbutanoyl]-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide.
What is the SMILES notation for N-[2-[2-[[(2R)-2-hydroxy-3-methylbutanoyl]-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide?
The canonical SMILES for N-[2-[2-[[(2R)-2-hydroxy-3-methylbutanoyl]-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide is CC(C)CCC(=O)NCC(=O)N(C)CCN(C)C(=O)[C@H](O)C(C)C.
What is the InChIKey of N-[2-[2-[[(2R)-2-hydroxy-3-methylbutanoyl]-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide?
The InChIKey is RKBOJCZRHAPFLP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H33N3O4/c1-12(2)7-8-14(21)18-11-15(22)19(5)9-10-20(6)17(24)16(23)13(3)4/h12-13,16,23H,7-11H2,1-6H3,(H,18,21)/t16-/m1/s1.
What are the key properties of N-[2-[2-[[(2R)-2-hydroxy-3-methylbutanoyl]-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide?
N-[2-[2-[[(2R)-2-hydroxy-3-methylbutanoyl]-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide has a molecular weight of 343.47 g/mol, XLogP of 0.47, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[(2R)-2-hydroxy-3-methylbutanoyl]-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide is sourced from PubChem (CID 138046465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).