(3R)-N-(3-hydroxypropyl)-3-methylpentanamide

C9H19NO2 — CID 173107720

IUPAC(3R)-N-(3-hydroxypropyl)-3-methylpentanamide
SMILESCC[C@@H](C)CC(=O)NCCCO
InChIInChI=1S/C9H19NO2/c1-3-8(2)7-9(12)10-5-4-6-11/h8,11H,3-7H2,1-2H3,(H,10,12)/t8-/m1/s1
InChIKeyCMWKOAKSIYNGBL-MRVPVSSYSA-N
MW173.26 g/mol
LogP0.92
Rot. Bonds6

About (3R)-N-(3-hydroxypropyl)-3-methylpentanamide

(3R)-N-(3-hydroxypropyl)-3-methylpentanamide (PubChem CID 173107720) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (3R)-N-(3-hydroxypropyl)-3-methylpentanamide.

Molecular Properties

Compound Name(3R)-N-(3-hydroxypropyl)-3-methylpentanamide
PubChem CID173107720
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(3R)-N-(3-hydroxypropyl)-3-methylpentanamide
SMILESCC[C@@H](C)CC(=O)NCCCO
InChIInChI=1S/C9H19NO2/c1-3-8(2)7-9(12)10-5-4-6-11/h8,11H,3-7H2,1-2H3,(H,10,12)/t8-/m1/s1
InChIKeyCMWKOAKSIYNGBL-MRVPVSSYSA-N
XLogP0.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid
CID 62966087
3-methyl-N-(5-methylheptyl)pentanamide
CID 177365994
N-(4-hydroxypentyl)-3-methylpentanamide
CID 107300592
N-[2-(2-hydroxyethoxy)ethyl]-3-methylpentanamide
CID 114875395
N-(5-chloro-4-methylpentyl)-3-methylpentanamide
CID 106157142
N-(5-bromo-4-methylpentyl)-3-methylpentanamide
CID 106157951
N-(4-hydroxybutyl)-3,5,5-trimethylhexanamide
CID 106843836
4-ethyl-N-(2-hydroxyethyl)-N'-(3-hydroxypropyl)heptanediamide
CID 167208778
2-hydroxy-4-(3-methylpentanoylamino)butanoic acid
CID 107832068
N-[(2S)-2-hydroxypropyl]-3-methylpentanamide
CID 104982256
N-(2-hydroxypropyl)-3-methylpentanamide
CID 114875363
3-(ethylamino)-N-(5-hydroxypentyl)butanamide
CID 107317725

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-hydroxypropyl)-3-methylpentanamide?
The IUPAC name of (3R)-N-(3-hydroxypropyl)-3-methylpentanamide (CID 173107720) is (3R)-N-(3-hydroxypropyl)-3-methylpentanamide.
What is the SMILES notation for (3R)-N-(3-hydroxypropyl)-3-methylpentanamide?
The canonical SMILES for (3R)-N-(3-hydroxypropyl)-3-methylpentanamide is CC[C@@H](C)CC(=O)NCCCO.
What is the InChIKey of (3R)-N-(3-hydroxypropyl)-3-methylpentanamide?
The InChIKey is CMWKOAKSIYNGBL-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-8(2)7-9(12)10-5-4-6-11/h8,11H,3-7H2,1-2H3,(H,10,12)/t8-/m1/s1.
What are the key properties of (3R)-N-(3-hydroxypropyl)-3-methylpentanamide?
(3R)-N-(3-hydroxypropyl)-3-methylpentanamide has a molecular weight of 173.26 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-hydroxypropyl)-3-methylpentanamide is sourced from PubChem (CID 173107720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).