4-(dimethylamino)-N-(4-phenylmethoxyphenyl)butanamide

C19H24N2O2 — CID 24901610

IUPAC4-(dimethylamino)-N-(4-phenylmethoxyphenyl)butanamide
SMILESCN(C)CCCC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-21(2)14-6-9-19(22)20-17-10-12-18(13-11-17)23-15-16-7-4-3-5-8-16/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3,(H,20,22)
InChIKeyHURMPVDUKQTUQF-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.55
Rot. Bonds8

About 4-(dimethylamino)-N-(4-phenylmethoxyphenyl)butanamide

4-(dimethylamino)-N-(4-phenylmethoxyphenyl)butanamide (PubChem CID 24901610) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(4-phenylmethoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(4-phenylmethoxyphenyl)butanamide
PubChem CID24901610
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name4-(dimethylamino)-N-(4-phenylmethoxyphenyl)butanamide
SMILESCN(C)CCCC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-21(2)14-6-9-19(22)20-17-10-12-18(13-11-17)23-15-16-7-4-3-5-8-16/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3,(H,20,22)
InChIKeyHURMPVDUKQTUQF-UHFFFAOYSA-N
XLogP3.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-Benzyl-4-methoxyaniline
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4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
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CID 44129620
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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(4-phenylmethoxyphenyl)butanamide?
The IUPAC name of 4-(dimethylamino)-N-(4-phenylmethoxyphenyl)butanamide (CID 24901610) is 4-(dimethylamino)-N-(4-phenylmethoxyphenyl)butanamide.
What is the SMILES notation for 4-(dimethylamino)-N-(4-phenylmethoxyphenyl)butanamide?
The canonical SMILES for 4-(dimethylamino)-N-(4-phenylmethoxyphenyl)butanamide is CN(C)CCCC(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-(4-phenylmethoxyphenyl)butanamide?
The InChIKey is HURMPVDUKQTUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-21(2)14-6-9-19(22)20-17-10-12-18(13-11-17)23-15-16-7-4-3-5-8-16/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3,(H,20,22).
What are the key properties of 4-(dimethylamino)-N-(4-phenylmethoxyphenyl)butanamide?
4-(dimethylamino)-N-(4-phenylmethoxyphenyl)butanamide has a molecular weight of 312.41 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(4-phenylmethoxyphenyl)butanamide is sourced from PubChem (CID 24901610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).