N-[4-(dimethylamino)butyl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide

C18H30N2O2 — CID 110436526

IUPACN-[4-(dimethylamino)butyl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
SMILESCN(C)CCCCNC(=O)Cc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C18H30N2O2/c1-18(2,3)22-16-10-8-15(9-11-16)14-17(21)19-12-6-7-13-20(4)5/h8-11H,6-7,12-14H2,1-5H3,(H,19,21)
InChIKeyDYTMZTQEXDTPNK-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.86
Rot. Bonds8

About N-[4-(dimethylamino)butyl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide

N-[4-(dimethylamino)butyl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide (PubChem CID 110436526) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[4-(dimethylamino)butyl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butyl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
PubChem CID110436526
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-[4-(dimethylamino)butyl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
SMILESCN(C)CCCCNC(=O)Cc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C18H30N2O2/c1-18(2,3)22-16-10-8-15(9-11-16)14-17(21)19-12-6-7-13-20(4)5/h8-11H,6-7,12-14H2,1-5H3,(H,19,21)
InChIKeyDYTMZTQEXDTPNK-UHFFFAOYSA-N
XLogP2.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetyl]amino]propanamide
CID 110474057
N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide
CID 4080384
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetohydrazide
CID 17245093
N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 110757113
2-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 78804891
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110436537
N-[3-(dimethylamino)propyl]-3-(4-ethylphenoxy)propanamide
CID 108795819
N-[3-(dimethylamino)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 95970771
N-hexyl-2-(4-methoxyphenyl)acetamide
CID 3649296
N-(3-formamidopropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide
CID 110464682
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113053547
N-(5-bromopentyl)-2-(4-methoxyphenyl)acetamide
CID 107321925

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butyl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide?
The IUPAC name of N-[4-(dimethylamino)butyl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide (CID 110436526) is N-[4-(dimethylamino)butyl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide.
What is the SMILES notation for N-[4-(dimethylamino)butyl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide?
The canonical SMILES for N-[4-(dimethylamino)butyl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide is CN(C)CCCCNC(=O)Cc1ccc(OC(C)(C)C)cc1.
What is the InChIKey of N-[4-(dimethylamino)butyl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide?
The InChIKey is DYTMZTQEXDTPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-18(2,3)22-16-10-8-15(9-11-16)14-17(21)19-12-6-7-13-20(4)5/h8-11H,6-7,12-14H2,1-5H3,(H,19,21).
What are the key properties of N-[4-(dimethylamino)butyl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide?
N-[4-(dimethylamino)butyl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide has a molecular weight of 306.45 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butyl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide is sourced from PubChem (CID 110436526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).