N-[(2R)-3-methylpentan-2-yl]propanamide

C9H19NO — CID 145216410

IUPACN-[(2R)-3-methylpentan-2-yl]propanamide
SMILESCCC(=O)N[C@H](C)C(C)CC
InChIInChI=1S/C9H19NO/c1-5-7(3)8(4)10-9(11)6-2/h7-8H,5-6H2,1-4H3,(H,10,11)/t7?,8-/m1/s1
InChIKeyWFBUAJDVQQBRFK-BRFYHDHCSA-N
MW157.26 g/mol
LogP1.95
Rot. Bonds4

About N-[(2R)-3-methylpentan-2-yl]propanamide

N-[(2R)-3-methylpentan-2-yl]propanamide (PubChem CID 145216410) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-[(2R)-3-methylpentan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2R)-3-methylpentan-2-yl]propanamide
PubChem CID145216410
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-[(2R)-3-methylpentan-2-yl]propanamide
SMILESCCC(=O)N[C@H](C)C(C)CC
InChIInChI=1S/C9H19NO/c1-5-7(3)8(4)10-9(11)6-2/h7-8H,5-6H2,1-4H3,(H,10,11)/t7?,8-/m1/s1
InChIKeyWFBUAJDVQQBRFK-BRFYHDHCSA-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

Butanamide, N-(2-methylpropyl)-
CID 346250
N-Ethyl-2,2-diisopropylbutanamide
CID 3016598
n-Butyl-2-methylpropanamide
CID 221968
N-butan-2-yl-3-methylbutanamide
CID 234387
N-cyclohexyl-3-methylbutanamide
CID 233660
2-ethyl-N-[2-(2-ethylbutanoylamino)ethyl]butanamide
CID 228244
Acetamide, N-(3-propyl-2-hexyl)-
CID 40203
Valeramide, N-isopropyl-2-propyl-
CID 200920
N-(2-Propylpentyl)ethanimidic acid
CID 218531
3-methyl-N-{2-[(3-methylbutanoyl)amino]propyl}butanamide
CID 2931090
N-cyclopentyl-2,2-dimethylpropanamide
CID 4611694
N-((1-isopropylpiperidin-4-yl)methyl)isobutyramide
CID 16895472

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylpentan-2-yl]propanamide?
The IUPAC name of N-[(2R)-3-methylpentan-2-yl]propanamide (CID 145216410) is N-[(2R)-3-methylpentan-2-yl]propanamide.
What is the SMILES notation for N-[(2R)-3-methylpentan-2-yl]propanamide?
The canonical SMILES for N-[(2R)-3-methylpentan-2-yl]propanamide is CCC(=O)N[C@H](C)C(C)CC.
What is the InChIKey of N-[(2R)-3-methylpentan-2-yl]propanamide?
The InChIKey is WFBUAJDVQQBRFK-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-7(3)8(4)10-9(11)6-2/h7-8H,5-6H2,1-4H3,(H,10,11)/t7?,8-/m1/s1.
What are the key properties of N-[(2R)-3-methylpentan-2-yl]propanamide?
N-[(2R)-3-methylpentan-2-yl]propanamide 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-[(2R)-3-methylpentan-2-yl]propanamide is sourced from PubChem (CID 145216410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).