N-(2-hydroxy-4-methylpentyl)-3-(4-methoxyphenyl)propanamide

C16H25NO3 — CID 103770855

IUPACN-(2-hydroxy-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC(O)CC(C)C)cc1
InChIInChI=1S/C16H25NO3/c1-12(2)10-14(18)11-17-16(19)9-6-13-4-7-15(20-3)8-5-13/h4-5,7-8,12,14,18H,6,9-11H2,1-3H3,(H,17,19)
InChIKeyVRJRYWHLBLEDSX-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.15
Rot. Bonds8

About N-(2-hydroxy-4-methylpentyl)-3-(4-methoxyphenyl)propanamide

N-(2-hydroxy-4-methylpentyl)-3-(4-methoxyphenyl)propanamide (PubChem CID 103770855) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
PubChem CID103770855
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-(2-hydroxy-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC(O)CC(C)C)cc1
InChIInChI=1S/C16H25NO3/c1-12(2)10-14(18)11-17-16(19)9-6-13-4-7-15(20-3)8-5-13/h4-5,7-8,12,14,18H,6,9-11H2,1-3H3,(H,17,19)
InChIKeyVRJRYWHLBLEDSX-UHFFFAOYSA-N
XLogP2.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
CID 107157225
2-[[3-(4-methoxyphenyl)propanoylamino]methyl]-4-methylpentanoic acid
CID 119253241
N-(2-hydroxy-4-methylpentyl)-2-(4-methoxyphenoxy)acetamide
CID 103771418
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide
CID 40592074
N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide
CID 66106188
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
4-methoxy-N-[4-[3-(2-methylpropylamino)-3-oxopropyl]phenyl]benzamide
CID 17359995
N-[2-(2-hydroxyethyl)pentyl]-3-(4-methoxyphenyl)propanamide
CID 103722806
N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-(4-methoxyphenyl)propanamide
CID 95967214
3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 52573357
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
N-(2-chloro-2-cyclopropylethyl)-3-(4-methoxyphenyl)propanamide
CID 114305247

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-3-(4-methoxyphenyl)propanamide (CID 103770855) is N-(2-hydroxy-4-methylpentyl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCC(O)CC(C)C)cc1.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is VRJRYWHLBLEDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12(2)10-14(18)11-17-16(19)9-6-13-4-7-15(20-3)8-5-13/h4-5,7-8,12,14,18H,6,9-11H2,1-3H3,(H,17,19).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-3-(4-methoxyphenyl)propanamide?
N-(2-hydroxy-4-methylpentyl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 279.38 g/mol, XLogP of 2.15, 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)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 103770855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).