(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide

C30H63N3O3 — CID 167576968

IUPAC(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide
SMILESCCC(C)C(=O)NC[C@@H](C)CC.CCC(C)CNC(=O)[C@@H](C)CC.CC[C@H](C)CNC(=O)[C@@H](C)CC
InChIInChI=1S/3C10H21NO/c3*1-5-8(3)7-11-10(12)9(4)6-2/h3*8-9H,5-7H2,1-4H3,(H,11,12)/t8?,9-;8-,9?;8-,9-/m000/s1
InChIKeyGRAQZUZGSQLDIO-PKAOKCSKSA-N
MW513.85 g/mol
LogP6.58
Rot. Bonds15

About (2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide

(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide (PubChem CID 167576968) has the molecular formula C30H63N3O3 and a molecular weight of 513.85 g/mol. Its IUPAC name is (2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide
PubChem CID167576968
Molecular FormulaC30H63N3O3
Molecular Weight513.85 g/mol
Exact Mass513.49
IUPAC Name(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide
SMILESCCC(C)C(=O)NC[C@@H](C)CC.CCC(C)CNC(=O)[C@@H](C)CC.CC[C@H](C)CNC(=O)[C@@H](C)CC
InChIInChI=1S/3C10H21NO/c3*1-5-8(3)7-11-10(12)9(4)6-2/h3*8-9H,5-7H2,1-4H3,(H,11,12)/t8?,9-;8-,9?;8-,9-/m000/s1
InChIKeyGRAQZUZGSQLDIO-PKAOKCSKSA-N
XLogP6.58
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.85
LogP ≤ 56.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide with MolForge

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Related Compounds

N-(3-amino-2-methylpropyl)-2-methylbutanamide
CID 62666098
2-methyl-N-[2-methyl-3-(methylamino)propyl]butanamide
CID 81478398
3-methyl-4-(2-methylbutanoylamino)butanoic acid
CID 81064601
(2S)-2-amino-N-(2-methylbutyl)propanamide
CID 59620908
[(2S)-2-methylbutyl]carbamic acid
CID 147069594
2-(aminomethyl)-N-(2-methylbutyl)butanamide
CID 62691581
2-amino-3-methyl-N-(2-methylbutyl)pentanamide
CID 62693739
2-methylbutylurea
CID 22179633
2-methylbutylcarbamothioic S-acid
CID 87545764
(2S)-N-[(2R,3S)-2-hydroxy-3-methylpentyl]-2-methylbutanamide
CID 97227824
2-hydroxy-3-(2-methylbutanoylamino)propanoic acid
CID 66167020
ethane;N-ethyl-2-methylbutanamide
CID 145471862

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide?
The IUPAC name of (2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide (CID 167576968) is (2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide.
What is the SMILES notation for (2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide?
The canonical SMILES for (2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide is CCC(C)C(=O)NC[C@@H](C)CC.CCC(C)CNC(=O)[C@@H](C)CC.CC[C@H](C)CNC(=O)[C@@H](C)CC.
What is the InChIKey of (2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide?
The InChIKey is GRAQZUZGSQLDIO-PKAOKCSKSA-N. The full InChI is InChI=1S/3C10H21NO/c3*1-5-8(3)7-11-10(12)9(4)6-2/h3*8-9H,5-7H2,1-4H3,(H,11,12)/t8?,9-;8-,9?;8-,9-/m000/s1.
What are the key properties of (2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide?
(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide has a molecular weight of 513.85 g/mol, XLogP of 6.58, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide is sourced from PubChem (CID 167576968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).