(2S)-N,4-dimethyl-2-(methylamino)-N-[(2R)-4-methyl-1-[[(2R)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide

C20H39N3O3 — CID 57202062

IUPAC(2S)-N,4-dimethyl-2-(methylamino)-N-[(2R)-4-methyl-1-[[(2R)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide
SMILESCN[C@@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](C=O)CC(C)C
InChIInChI=1S/C20H39N3O3/c1-13(2)9-16(12-24)22-19(25)18(11-15(5)6)23(8)20(26)17(21-7)10-14(3)4/h12-18,21H,9-11H2,1-8H3,(H,22,25)/t16-,17+,18-/m1/s1
InChIKeyIJJCCNXQPXIWKO-FGTMMUONSA-N
MW369.55 g/mol
LogP2.22
Rot. Bonds12

About (2S)-N,4-dimethyl-2-(methylamino)-N-[(2R)-4-methyl-1-[[(2R)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide

(2S)-N,4-dimethyl-2-(methylamino)-N-[(2R)-4-methyl-1-[[(2R)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide (PubChem CID 57202062) has the molecular formula C20H39N3O3 and a molecular weight of 369.55 g/mol. Its IUPAC name is (2S)-N,4-dimethyl-2-(methylamino)-N-[(2R)-4-methyl-1-[[(2R)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide.

Molecular Properties

Compound Name(2S)-N,4-dimethyl-2-(methylamino)-N-[(2R)-4-methyl-1-[[(2R)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide
PubChem CID57202062
Molecular FormulaC20H39N3O3
Molecular Weight369.55 g/mol
Exact Mass369.30
IUPAC Name(2S)-N,4-dimethyl-2-(methylamino)-N-[(2R)-4-methyl-1-[[(2R)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide
SMILESCN[C@@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](C=O)CC(C)C
InChIInChI=1S/C20H39N3O3/c1-13(2)9-16(12-24)22-19(25)18(11-15(5)6)23(8)20(26)17(21-7)10-14(3)4/h12-18,21H,9-11H2,1-8H3,(H,22,25)/t16-,17+,18-/m1/s1
InChIKeyIJJCCNXQPXIWKO-FGTMMUONSA-N
XLogP2.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (2S)-N,4-dimethyl-2-(methylamino)-N-[(2R)-4-methyl-1-[[(2R)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide with MolForge

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

Launch Full Analysis

Related Compounds

Leupeptin
CID 72429
Acetylleucyl-leucyl-norleucinal
CID 443118
N-acetylleucyl-leucyl-methioninal
CID 121855
(2S)-2-({5-[(diaminomethylidene)amino]-1-oxopentan-2-yl}amino)-N-[(2S)-2-acetamido-4-methylpentanoyl]-4-methylpentanamide
CID 3033938
2-acetamido-4-methyl-N-(3-methyl-1-{[4-(methylsulfanyl)-1-oxobutan-2-yl]carbamoyl}butyl)pentanamide
CID 4331
Ac-Leu-Ile-Arg-al
CID 10365153
AC-Leu-val-lys-aldehyde
CID 7408462
Ac-Leu-Leu-Leu-al
CID 9864840
Immunosuppressant Cyclosporin O
CID 11170764
N-Acetyl-Leucyl-Leucinal
CID 18458068
2-Acetylamino-4-methyl-pentanoic acid [1-(5-amino-1-formyl-pentylcarbamoyl)-3-methyl-butyl]-amide
CID 73345753
(2S)-2-amino-N-[(1S)-1-formyl-3-methyl-butyl]-4-methyl-pentanamide
CID 484685

Frequently Asked Questions

What is the IUPAC name of (2S)-N,4-dimethyl-2-(methylamino)-N-[(2R)-4-methyl-1-[[(2R)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide?
The IUPAC name of (2S)-N,4-dimethyl-2-(methylamino)-N-[(2R)-4-methyl-1-[[(2R)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide (CID 57202062) is (2S)-N,4-dimethyl-2-(methylamino)-N-[(2R)-4-methyl-1-[[(2R)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide.
What is the SMILES notation for (2S)-N,4-dimethyl-2-(methylamino)-N-[(2R)-4-methyl-1-[[(2R)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide?
The canonical SMILES for (2S)-N,4-dimethyl-2-(methylamino)-N-[(2R)-4-methyl-1-[[(2R)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide is CN[C@@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](C=O)CC(C)C.
What is the InChIKey of (2S)-N,4-dimethyl-2-(methylamino)-N-[(2R)-4-methyl-1-[[(2R)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide?
The InChIKey is IJJCCNXQPXIWKO-FGTMMUONSA-N. The full InChI is InChI=1S/C20H39N3O3/c1-13(2)9-16(12-24)22-19(25)18(11-15(5)6)23(8)20(26)17(21-7)10-14(3)4/h12-18,21H,9-11H2,1-8H3,(H,22,25)/t16-,17+,18-/m1/s1.
What are the key properties of (2S)-N,4-dimethyl-2-(methylamino)-N-[(2R)-4-methyl-1-[[(2R)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide?
(2S)-N,4-dimethyl-2-(methylamino)-N-[(2R)-4-methyl-1-[[(2R)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide has a molecular weight of 369.55 g/mol, XLogP of 2.22, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,4-dimethyl-2-(methylamino)-N-[(2R)-4-methyl-1-[[(2R)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide is sourced from PubChem (CID 57202062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).