N-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide

C21H27NO — CID 58974296

IUPACN-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide
SMILESCNC(=O)CCCc1ccc(CCCCc2ccccc2)cc1
InChIInChI=1S/C21H27NO/c1-22-21(23)13-7-12-20-16-14-19(15-17-20)11-6-5-10-18-8-3-2-4-9-18/h2-4,8-9,14-17H,5-7,10-13H2,1H3,(H,22,23)
InChIKeyRXMNQWPUQSHYHN-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.32
Rot. Bonds9

About N-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide

N-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide (PubChem CID 58974296) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is N-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide.

Molecular Properties

Compound NameN-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide
PubChem CID58974296
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC NameN-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide
SMILESCNC(=O)CCCc1ccc(CCCCc2ccccc2)cc1
InChIInChI=1S/C21H27NO/c1-22-21(23)13-7-12-20-16-14-19(15-17-20)11-6-5-10-18-8-3-2-4-9-18/h2-4,8-9,14-17H,5-7,10-13H2,1H3,(H,22,23)
InChIKeyRXMNQWPUQSHYHN-UHFFFAOYSA-N
XLogP4.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-9-phenylnonanamide
CID 118028570
4-(4-iodophenyl)-N-methylbutanamide
CID 148600520
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
N-ethyl-6-phenylhexanamide
CID 70953257
N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide
CID 21335633
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
N-(1-cyano-2-methylpropyl)-4-phenylbutanamide
CID 63930626
5-phenylpentan-2-one
CID 16701
4-phenyl-N-prop-2-ynylbutanamide
CID 60769101
(2S)-N,4-dimethyl-2-(4-phenylbutanoylamino)pentanamide
CID 71457400
1-(methylamino)-7-phenylheptan-4-one
CID 116555547
N-methyl-4-(2-methylphenyl)butanamide
CID 67667120

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide?
The IUPAC name of N-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide (CID 58974296) is N-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide.
What is the SMILES notation for N-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide?
The canonical SMILES for N-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide is CNC(=O)CCCc1ccc(CCCCc2ccccc2)cc1.
What is the InChIKey of N-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide?
The InChIKey is RXMNQWPUQSHYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-22-21(23)13-7-12-20-16-14-19(15-17-20)11-6-5-10-18-8-3-2-4-9-18/h2-4,8-9,14-17H,5-7,10-13H2,1H3,(H,22,23).
What are the key properties of N-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide?
N-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide has a molecular weight of 309.45 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide is sourced from PubChem (CID 58974296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).