N-methyl-4-(4-pentan-2-ylphenoxy)hex-5-enamide

C18H27NO2 — CID 177362391

IUPACN-methyl-4-(4-pentan-2-ylphenoxy)hex-5-enamide
SMILESC=CC(CCC(=O)NC)Oc1ccc(C(C)CCC)cc1
InChIInChI=1S/C18H27NO2/c1-5-7-14(3)15-8-10-17(11-9-15)21-16(6-2)12-13-18(20)19-4/h6,8-11,14,16H,2,5,7,12-13H2,1,3-4H3,(H,19,20)
InChIKeyDSFMVASFJDPCJZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.05
Rot. Bonds9

About N-methyl-4-(4-pentan-2-ylphenoxy)hex-5-enamide

N-methyl-4-(4-pentan-2-ylphenoxy)hex-5-enamide (PubChem CID 177362391) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-methyl-4-(4-pentan-2-ylphenoxy)hex-5-enamide.

Molecular Properties

Compound NameN-methyl-4-(4-pentan-2-ylphenoxy)hex-5-enamide
PubChem CID177362391
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-methyl-4-(4-pentan-2-ylphenoxy)hex-5-enamide
SMILESC=CC(CCC(=O)NC)Oc1ccc(C(C)CCC)cc1
InChIInChI=1S/C18H27NO2/c1-5-7-14(3)15-8-10-17(11-9-15)21-16(6-2)12-13-18(20)19-4/h6,8-11,14,16H,2,5,7,12-13H2,1,3-4H3,(H,19,20)
InChIKeyDSFMVASFJDPCJZ-UHFFFAOYSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S)-hex-1-en-3-yl]oxy-4-methoxybenzene
CID 11321707
[(3S)-hex-1-en-3-yl]oxybenzene
CID 100974430
(4-pentan-2-ylphenyl) 2-methylprop-2-enoate
CID 89171123
1-hex-1-en-3-yloxy-4-nitrobenzene
CID 58105900
[3-[(3R)-hex-1-en-3-yl]oxyphenyl] acetate
CID 102471013
ethane;1-ethenyl-4-pentan-2-ylbenzene
CID 178004325
3-hex-1-en-3-yloxybenzaldehyde
CID 73229567
N-[(pentanoylamino)-(4-propan-2-yloxyphenyl)methyl]pentanamide
CID 18839396
N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide
CID 40536060
4-(4-pentan-2-ylphenoxy)aniline
CID 19386569
phenyl 4-pentan-2-ylbenzoate
CID 57043329
2-(4-propan-2-ylphenoxy)pentanoic acid
CID 54792638

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-pentan-2-ylphenoxy)hex-5-enamide?
The IUPAC name of N-methyl-4-(4-pentan-2-ylphenoxy)hex-5-enamide (CID 177362391) is N-methyl-4-(4-pentan-2-ylphenoxy)hex-5-enamide.
What is the SMILES notation for N-methyl-4-(4-pentan-2-ylphenoxy)hex-5-enamide?
The canonical SMILES for N-methyl-4-(4-pentan-2-ylphenoxy)hex-5-enamide is C=CC(CCC(=O)NC)Oc1ccc(C(C)CCC)cc1.
What is the InChIKey of N-methyl-4-(4-pentan-2-ylphenoxy)hex-5-enamide?
The InChIKey is DSFMVASFJDPCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-5-7-14(3)15-8-10-17(11-9-15)21-16(6-2)12-13-18(20)19-4/h6,8-11,14,16H,2,5,7,12-13H2,1,3-4H3,(H,19,20).
What are the key properties of N-methyl-4-(4-pentan-2-ylphenoxy)hex-5-enamide?
N-methyl-4-(4-pentan-2-ylphenoxy)hex-5-enamide has a molecular weight of 289.42 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-pentan-2-ylphenoxy)hex-5-enamide is sourced from PubChem (CID 177362391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).