(2S)-2-(tert-butylamino)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methylbutanamide

C16H32N2O2 — CID 166671320

IUPAC(2S)-2-(tert-butylamino)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methylbutanamide
SMILESCC(C)[C@H](NC(C)(C)C)C(=O)N[C@@H](C)C(=O)C(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-10(2)12(18-16(7,8)9)14(20)17-11(3)13(19)15(4,5)6/h10-12,18H,1-9H3,(H,17,20)/t11-,12-/m0/s1
InChIKeyWNPHTKCGFWRLJU-RYUDHWBXSA-N
MW284.44 g/mol
LogP2.52
Rot. Bonds5

About (2S)-2-(tert-butylamino)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methylbutanamide

(2S)-2-(tert-butylamino)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methylbutanamide (PubChem CID 166671320) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is (2S)-2-(tert-butylamino)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-(tert-butylamino)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methylbutanamide
PubChem CID166671320
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name(2S)-2-(tert-butylamino)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methylbutanamide
SMILESCC(C)[C@H](NC(C)(C)C)C(=O)N[C@@H](C)C(=O)C(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-10(2)12(18-16(7,8)9)14(20)17-11(3)13(19)15(4,5)6/h10-12,18H,1-9H3,(H,17,20)/t11-,12-/m0/s1
InChIKeyWNPHTKCGFWRLJU-RYUDHWBXSA-N
XLogP2.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(tert-butylamino)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methylbutanamide with MolForge

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Related Compounds

(2S)-2-(tert-butylamino)-3-methyl-N-[(2S)-4-methyl-3-oxopentan-2-yl]butanamide
CID 138482618
N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methyl-2-(propanoylamino)butanamide
CID 146263980
(2S)-2-(tert-butylamino)-3-methylbutanoic acid
CID 12837673
(4,4-dimethyl-3-oxopentan-2-yl)urea
CID 58728668
[4-[[(2S)-2-[[(2S)-2-(tert-butylamino)-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl 2-methylpropanoate
CID 171770835
methane;(2S)-2-(propan-2-ylamino)-N-[(3S)-2,5,5-trimethyl-4-oxohexan-3-yl]propanamide
CID 159918329
(2S)-2-(tert-butylamino)-N-[(4S)-8-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoylamino]-2,2-dimethyl-3-oxooctan-4-yl]-3-methylbutanamide
CID 146394059
N-(4-ethyl-4-methyl-3-oxooctan-2-yl)-3-methyl-2-(3-methylheptan-3-ylamino)butanamide
CID 146626547
(2S)-2-(tert-butylamino)-N-[(4S)-1-(carbamoylamino)-6-methyl-5-oxoheptan-4-yl]-3-methylbutanamide
CID 149486153
(2R)-2-[[(2S)-2-(tert-butylamino)propanoyl]amino]propanoic acid
CID 130454125
N-(2,5,5-trimethyl-4-oxohexan-3-yl)propanamide
CID 126543294
tert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate
CID 72641150

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(tert-butylamino)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methylbutanamide?
The IUPAC name of (2S)-2-(tert-butylamino)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methylbutanamide (CID 166671320) is (2S)-2-(tert-butylamino)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-(tert-butylamino)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-(tert-butylamino)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methylbutanamide is CC(C)[C@H](NC(C)(C)C)C(=O)N[C@@H](C)C(=O)C(C)(C)C.
What is the InChIKey of (2S)-2-(tert-butylamino)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methylbutanamide?
The InChIKey is WNPHTKCGFWRLJU-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-10(2)12(18-16(7,8)9)14(20)17-11(3)13(19)15(4,5)6/h10-12,18H,1-9H3,(H,17,20)/t11-,12-/m0/s1.
What are the key properties of (2S)-2-(tert-butylamino)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methylbutanamide?
(2S)-2-(tert-butylamino)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methylbutanamide has a molecular weight of 284.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(tert-butylamino)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 166671320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).