(2R,5S)-5-amino-2,7-dimethyl-N-[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]-4-oxooctanamide

C20H39N3O3 — CID 14542154

IUPAC(2R,5S)-5-amino-2,7-dimethyl-N-[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]-4-oxooctanamide
SMILESCC(C)CCNC(=O)[C@@H](NC(=O)[C@H](C)CC(=O)[C@@H](N)CC(C)C)C(C)C
InChIInChI=1S/C20H39N3O3/c1-12(2)8-9-22-20(26)18(14(5)6)23-19(25)15(7)11-17(24)16(21)10-13(3)4/h12-16,18H,8-11,21H2,1-7H3,(H,22,26)(H,23,25)/t15-,16+,18+/m1/s1
InChIKeyFFVIWVMEKHYVNS-RYRKJORJSA-N
MW369.55 g/mol
LogP2.26
Rot. Bonds12

About (2R,5S)-5-amino-2,7-dimethyl-N-[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]-4-oxooctanamide

(2R,5S)-5-amino-2,7-dimethyl-N-[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]-4-oxooctanamide (PubChem CID 14542154) has the molecular formula C20H39N3O3 and a molecular weight of 369.55 g/mol. Its IUPAC name is (2R,5S)-5-amino-2,7-dimethyl-N-[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]-4-oxooctanamide.

Molecular Properties

Compound Name(2R,5S)-5-amino-2,7-dimethyl-N-[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]-4-oxooctanamide
PubChem CID14542154
Molecular FormulaC20H39N3O3
Molecular Weight369.55 g/mol
Exact Mass369.30
IUPAC Name(2R,5S)-5-amino-2,7-dimethyl-N-[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]-4-oxooctanamide
SMILESCC(C)CCNC(=O)[C@@H](NC(=O)[C@H](C)CC(=O)[C@@H](N)CC(C)C)C(C)C
InChIInChI=1S/C20H39N3O3/c1-12(2)8-9-22-20(26)18(14(5)6)23-19(25)15(7)11-17(24)16(21)10-13(3)4/h12-16,18H,8-11,21H2,1-7H3,(H,22,26)(H,23,25)/t15-,16+,18+/m1/s1
InChIKeyFFVIWVMEKHYVNS-RYRKJORJSA-N
XLogP2.26
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R,5S)-5-amino-2,7-dimethyl-N-[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]-4-oxooctanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-amino-2,7-dimethyl-N-[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]-4-oxooctanamide?
The IUPAC name of (2R,5S)-5-amino-2,7-dimethyl-N-[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]-4-oxooctanamide (CID 14542154) is (2R,5S)-5-amino-2,7-dimethyl-N-[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]-4-oxooctanamide.
What is the SMILES notation for (2R,5S)-5-amino-2,7-dimethyl-N-[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]-4-oxooctanamide?
The canonical SMILES for (2R,5S)-5-amino-2,7-dimethyl-N-[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]-4-oxooctanamide is CC(C)CCNC(=O)[C@@H](NC(=O)[C@H](C)CC(=O)[C@@H](N)CC(C)C)C(C)C.
What is the InChIKey of (2R,5S)-5-amino-2,7-dimethyl-N-[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]-4-oxooctanamide?
The InChIKey is FFVIWVMEKHYVNS-RYRKJORJSA-N. The full InChI is InChI=1S/C20H39N3O3/c1-12(2)8-9-22-20(26)18(14(5)6)23-19(25)15(7)11-17(24)16(21)10-13(3)4/h12-16,18H,8-11,21H2,1-7H3,(H,22,26)(H,23,25)/t15-,16+,18+/m1/s1.
What are the key properties of (2R,5S)-5-amino-2,7-dimethyl-N-[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]-4-oxooctanamide?
(2R,5S)-5-amino-2,7-dimethyl-N-[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]-4-oxooctanamide has a molecular weight of 369.55 g/mol, XLogP of 2.26, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-amino-2,7-dimethyl-N-[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]-4-oxooctanamide is sourced from PubChem (CID 14542154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).