N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(3-methylphenoxy)butanamide

C18H30N2O2 — CID 134008156

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(3-methylphenoxy)butanamide
SMILESCc1cccc(OCCCC(=O)NCC(C)(C)CN(C)C)c1
InChIInChI=1S/C18H30N2O2/c1-15-8-6-9-16(12-15)22-11-7-10-17(21)19-13-18(2,3)14-20(4)5/h6,8-9,12H,7,10-11,13-14H2,1-5H3,(H,19,21)
InChIKeyQWDLTNVHKBHPEQ-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.86
Rot. Bonds9

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(3-methylphenoxy)butanamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(3-methylphenoxy)butanamide (PubChem CID 134008156) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(3-methylphenoxy)butanamide
PubChem CID134008156
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(3-methylphenoxy)butanamide
SMILESCc1cccc(OCCCC(=O)NCC(C)(C)CN(C)C)c1
InChIInChI=1S/C18H30N2O2/c1-15-8-6-9-16(12-15)22-11-7-10-17(21)19-13-18(2,3)14-20(4)5/h6,8-9,12H,7,10-11,13-14H2,1-5H3,(H,19,21)
InChIKeyQWDLTNVHKBHPEQ-UHFFFAOYSA-N
XLogP2.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

4-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)butanamide
CID 78786017
N-(2,2-difluoro-3-hydroxypropyl)-4-(3-methylphenoxy)butanamide
CID 104858238
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(3-methylphenoxy)butanamide
CID 111451808
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
N-[2-(diethylamino)ethyl]-4-(3-methylphenoxy)butanamide
CID 78782902
N-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide
CID 103919173
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-fluorophenoxy)propanamide
CID 103839738
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-4-(3-methylphenoxy)butanamide
CID 55797246
5-(3-methylphenoxy)-N-prop-2-ynylpentanamide
CID 60584237
N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide
CID 62659653
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
N'-acetyl-3-(3-methylphenoxy)propanehydrazide
CID 30905648

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(3-methylphenoxy)butanamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(3-methylphenoxy)butanamide (CID 134008156) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(3-methylphenoxy)butanamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(3-methylphenoxy)butanamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(3-methylphenoxy)butanamide is Cc1cccc(OCCCC(=O)NCC(C)(C)CN(C)C)c1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(3-methylphenoxy)butanamide?
The InChIKey is QWDLTNVHKBHPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-15-8-6-9-16(12-15)22-11-7-10-17(21)19-13-18(2,3)14-20(4)5/h6,8-9,12H,7,10-11,13-14H2,1-5H3,(H,19,21).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(3-methylphenoxy)butanamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(3-methylphenoxy)butanamide has a molecular weight of 306.45 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(3-methylphenoxy)butanamide is sourced from PubChem (CID 134008156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).