N-[(2S)-butan-2-yl]-3-methylbutanamide

C9H19NO — CID 38989280

IUPACN-[(2S)-butan-2-yl]-3-methylbutanamide
SMILESCC[C@H](C)NC(=O)CC(C)C
InChIInChI=1S/C9H19NO/c1-5-8(4)10-9(11)6-7(2)3/h7-8H,5-6H2,1-4H3,(H,10,11)/t8-/m0/s1
InChIKeyKGUOWMIMFBKTIM-QMMMGPOBSA-N
MW157.26 g/mol
LogP1.95
Rot. Bonds4

About N-[(2S)-butan-2-yl]-3-methylbutanamide

N-[(2S)-butan-2-yl]-3-methylbutanamide (PubChem CID 38989280) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-3-methylbutanamide
PubChem CID38989280
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-[(2S)-butan-2-yl]-3-methylbutanamide
SMILESCC[C@H](C)NC(=O)CC(C)C
InChIInChI=1S/C9H19NO/c1-5-8(4)10-9(11)6-7(2)3/h7-8H,5-6H2,1-4H3,(H,10,11)/t8-/m0/s1
InChIKeyKGUOWMIMFBKTIM-QMMMGPOBSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-N-[(2S)-butan-2-yl]butanamide
CID 142118681
3-methyl-N-(2-oxopentan-3-yl)butanamide
CID 178112786
3-methyl-N-(4-methyl-5-oxoheptan-2-yl)butanamide
CID 155245946
N-butan-2-yl-4-oxopentanamide
CID 60635035
3-amino-N-butan-2-ylpropanamide
CID 16784988
N-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]sulfanylpropanamide
CID 2169384
2-[[2-(butan-2-ylamino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 63644616
(2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide
CID 87725663
3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
CID 90264855
N-butan-2-yl-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 115877326
3-methyl-N-(3-methyl-1-oxopentan-2-yl)butanamide
CID 123144542
N-butan-2-yl-2-isocyanoacetamide
CID 108814669

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-3-methylbutanamide?
The IUPAC name of N-[(2S)-butan-2-yl]-3-methylbutanamide (CID 38989280) is N-[(2S)-butan-2-yl]-3-methylbutanamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-3-methylbutanamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-3-methylbutanamide is CC[C@H](C)NC(=O)CC(C)C.
What is the InChIKey of N-[(2S)-butan-2-yl]-3-methylbutanamide?
The InChIKey is KGUOWMIMFBKTIM-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-8(4)10-9(11)6-7(2)3/h7-8H,5-6H2,1-4H3,(H,10,11)/t8-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-3-methylbutanamide?
N-[(2S)-butan-2-yl]-3-methylbutanamide has a molecular weight of 157.26 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 38989280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).