N-(2-hydroxy-4-methylpentyl)-4-pyrrol-1-ylbutanamide

C14H24N2O2 — CID 109409829

IUPACN-(2-hydroxy-4-methylpentyl)-4-pyrrol-1-ylbutanamide
SMILESCC(C)CC(O)CNC(=O)CCCn1cccc1
InChIInChI=1S/C14H24N2O2/c1-12(2)10-13(17)11-15-14(18)6-5-9-16-7-3-4-8-16/h3-4,7-8,12-13,17H,5-6,9-11H2,1-2H3,(H,15,18)
InChIKeyMKQHPVRBLSBQNV-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.79
Rot. Bonds8

About N-(2-hydroxy-4-methylpentyl)-4-pyrrol-1-ylbutanamide

N-(2-hydroxy-4-methylpentyl)-4-pyrrol-1-ylbutanamide (PubChem CID 109409829) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-4-pyrrol-1-ylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-4-pyrrol-1-ylbutanamide
PubChem CID109409829
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-(2-hydroxy-4-methylpentyl)-4-pyrrol-1-ylbutanamide
SMILESCC(C)CC(O)CNC(=O)CCCn1cccc1
InChIInChI=1S/C14H24N2O2/c1-12(2)10-13(17)11-15-14(18)6-5-9-16-7-3-4-8-16/h3-4,7-8,12-13,17H,5-6,9-11H2,1-2H3,(H,15,18)
InChIKeyMKQHPVRBLSBQNV-UHFFFAOYSA-N
XLogP1.79
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-3-methoxypropyl)-4-pyrrol-1-ylbutanamide
CID 109408533
4-hydroxy-N-(2-hydroxy-4-methylpentyl)pentanamide
CID 107159465
6-[(2-hydroxy-4-methylpentyl)amino]-6-oxohexanoic acid
CID 107151219
N-(4-hydroxy-2-methylpentyl)-4-imidazol-1-ylbutanamide
CID 111447010
N-(2-hydroxy-4-methylpentyl)-2-propan-2-ylsulfanylacetamide
CID 103771239
N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 103771590
N-(2-hydroxy-4-methylpentyl)-2-(2-phenylethylsulfanyl)acetamide
CID 103771004
N-(2-hydroxy-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
CID 103770855
N-(1-hydroxypentan-3-yl)-4-pyrrol-1-ylbutanamide
CID 109479015
N-(2-hydroxy-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103770915
N-(2-hydroxy-4-methylpentyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 103771540
N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclopentanecarboxamide
CID 103771616

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-4-pyrrol-1-ylbutanamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-4-pyrrol-1-ylbutanamide (CID 109409829) is N-(2-hydroxy-4-methylpentyl)-4-pyrrol-1-ylbutanamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-4-pyrrol-1-ylbutanamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-4-pyrrol-1-ylbutanamide is CC(C)CC(O)CNC(=O)CCCn1cccc1.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-4-pyrrol-1-ylbutanamide?
The InChIKey is MKQHPVRBLSBQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-12(2)10-13(17)11-15-14(18)6-5-9-16-7-3-4-8-16/h3-4,7-8,12-13,17H,5-6,9-11H2,1-2H3,(H,15,18).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-4-pyrrol-1-ylbutanamide?
N-(2-hydroxy-4-methylpentyl)-4-pyrrol-1-ylbutanamide has a molecular weight of 252.36 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-4-pyrrol-1-ylbutanamide is sourced from PubChem (CID 109409829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).