N-(3-methylphenyl)-4-phenoxy-N-propylbutanamide

C20H25NO2 — CID 17320931

IUPACN-(3-methylphenyl)-4-phenoxy-N-propylbutanamide
SMILESCCCN(C(=O)CCCOc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C20H25NO2/c1-3-14-21(18-10-7-9-17(2)16-18)20(22)13-8-15-23-19-11-5-4-6-12-19/h4-7,9-12,16H,3,8,13-15H2,1-2H3
InChIKeyNZCTVPLCIYSROO-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.60
Rot. Bonds8

About N-(3-methylphenyl)-4-phenoxy-N-propylbutanamide

N-(3-methylphenyl)-4-phenoxy-N-propylbutanamide (PubChem CID 17320931) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-phenoxy-N-propylbutanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-phenoxy-N-propylbutanamide
PubChem CID17320931
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-(3-methylphenyl)-4-phenoxy-N-propylbutanamide
SMILESCCCN(C(=O)CCCOc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C20H25NO2/c1-3-14-21(18-10-7-9-17(2)16-18)20(22)13-8-15-23-19-11-5-4-6-12-19/h4-7,9-12,16H,3,8,13-15H2,1-2H3
InChIKeyNZCTVPLCIYSROO-UHFFFAOYSA-N
XLogP4.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(3-methylphenyl)-3-phenoxypropanamide
CID 113099032
3-(4-methoxyphenyl)-N-(3-methylphenyl)-N-propylpropanamide
CID 17321844
(2S)-2-(2-benzoylanilino)-3-[4-[3-(3-methyl-N-pentanoylanilino)propoxy]phenyl]propanoic acid
CID 69127618
3-(3-methyl-N-propanoylanilino)propanoic acid
CID 28764164
4-methyl-N-(3-methylphenyl)-N-propylbenzamide
CID 17319549
N,N-bis(2-hydroxyethyl)-4-(3-methylphenoxy)butanamide
CID 60653323
N-ethyl-3-(N-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109036586
2-[ethyl-[4-(3-methylphenoxy)butanoyl]amino]acetic acid
CID 61022486
N-heptyl-N-(3-methylphenyl)propanamide
CID 167100434
N-(3-methylphenyl)-2-(4-methylphenyl)sulfanyl-N-propylacetamide
CID 17321405
3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 109032470
4-amino-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)butanamide;hydrochloride
CID 119311463

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-phenoxy-N-propylbutanamide?
The IUPAC name of N-(3-methylphenyl)-4-phenoxy-N-propylbutanamide (CID 17320931) is N-(3-methylphenyl)-4-phenoxy-N-propylbutanamide.
What is the SMILES notation for N-(3-methylphenyl)-4-phenoxy-N-propylbutanamide?
The canonical SMILES for N-(3-methylphenyl)-4-phenoxy-N-propylbutanamide is CCCN(C(=O)CCCOc1ccccc1)c1cccc(C)c1.
What is the InChIKey of N-(3-methylphenyl)-4-phenoxy-N-propylbutanamide?
The InChIKey is NZCTVPLCIYSROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-3-14-21(18-10-7-9-17(2)16-18)20(22)13-8-15-23-19-11-5-4-6-12-19/h4-7,9-12,16H,3,8,13-15H2,1-2H3.
What are the key properties of N-(3-methylphenyl)-4-phenoxy-N-propylbutanamide?
N-(3-methylphenyl)-4-phenoxy-N-propylbutanamide has a molecular weight of 311.43 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-phenoxy-N-propylbutanamide is sourced from PubChem (CID 17320931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).