4-butoxy-N-[(2S)-2-phenylpropyl]benzamide

C20H25NO2 — CID 2265354

IUPAC4-butoxy-N-[(2S)-2-phenylpropyl]benzamide
SMILESCCCCOc1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-3-4-14-23-19-12-10-18(11-13-19)20(22)21-15-16(2)17-8-6-5-7-9-17/h5-13,16H,3-4,14-15H2,1-2H3,(H,21,22)/t16-/m1/s1
InChIKeyIUZWFZGBUAFIIV-MRXNPFEDSA-N
MW311.43 g/mol
LogP4.40
Rot. Bonds8

About 4-butoxy-N-[(2S)-2-phenylpropyl]benzamide

4-butoxy-N-[(2S)-2-phenylpropyl]benzamide (PubChem CID 2265354) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-butoxy-N-[(2S)-2-phenylpropyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[(2S)-2-phenylpropyl]benzamide
PubChem CID2265354
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name4-butoxy-N-[(2S)-2-phenylpropyl]benzamide
SMILESCCCCOc1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-3-4-14-23-19-12-10-18(11-13-19)20(22)21-15-16(2)17-8-6-5-7-9-17/h5-13,16H,3-4,14-15H2,1-2H3,(H,21,22)/t16-/m1/s1
InChIKeyIUZWFZGBUAFIIV-MRXNPFEDSA-N
XLogP4.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 2433841
[(1R)-2-[(4-butoxybenzoyl)amino]-1-phenylethyl]-dimethylazanium
CID 2433840
4-butoxy-3-methoxy-N-[(2S)-2-phenylpropyl]benzamide
CID 9302117
N-(2-aminopropyl)-4-butoxybenzamide
CID 63732303
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
benzhydryl 2-[(4-butoxybenzoyl)amino]acetate
CID 7905876
4-heptoxy-N-[(2S)-2-hydroxypropyl]benzamide
CID 98156453
4-heptoxy-N-(2-hydroxypropyl)benzamide
CID 3390549
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-4-butoxybenzamide
CID 62668016
1-(4-butoxyphenyl)-2-phenylpropan-1-one
CID 101074435
N-(2-ethylhexyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 133239632
2-[[4-(2-phenylpropoxy)benzoyl]amino]acetic acid
CID 66812487

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[(2S)-2-phenylpropyl]benzamide?
The IUPAC name of 4-butoxy-N-[(2S)-2-phenylpropyl]benzamide (CID 2265354) is 4-butoxy-N-[(2S)-2-phenylpropyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[(2S)-2-phenylpropyl]benzamide?
The canonical SMILES for 4-butoxy-N-[(2S)-2-phenylpropyl]benzamide is CCCCOc1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of 4-butoxy-N-[(2S)-2-phenylpropyl]benzamide?
The InChIKey is IUZWFZGBUAFIIV-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25NO2/c1-3-4-14-23-19-12-10-18(11-13-19)20(22)21-15-16(2)17-8-6-5-7-9-17/h5-13,16H,3-4,14-15H2,1-2H3,(H,21,22)/t16-/m1/s1.
What are the key properties of 4-butoxy-N-[(2S)-2-phenylpropyl]benzamide?
4-butoxy-N-[(2S)-2-phenylpropyl]benzamide has a molecular weight of 311.43 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[(2S)-2-phenylpropyl]benzamide is sourced from PubChem (CID 2265354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).