N-[bis(4-methoxyphenyl)methyl]-2-butoxypropanamide

C22H29NO4 — CID 48658410

IUPACN-[bis(4-methoxyphenyl)methyl]-2-butoxypropanamide
SMILESCCCCOC(C)C(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C22H29NO4/c1-5-6-15-27-16(2)22(24)23-21(17-7-11-19(25-3)12-8-17)18-9-13-20(26-4)14-10-18/h7-14,16,21H,5-6,15H2,1-4H3,(H,23,24)
InChIKeyNKAVICXWLMPZOM-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.11
Rot. Bonds10

About N-[bis(4-methoxyphenyl)methyl]-2-butoxypropanamide

N-[bis(4-methoxyphenyl)methyl]-2-butoxypropanamide (PubChem CID 48658410) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[bis(4-methoxyphenyl)methyl]-2-butoxypropanamide.

Molecular Properties

Compound NameN-[bis(4-methoxyphenyl)methyl]-2-butoxypropanamide
PubChem CID48658410
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC NameN-[bis(4-methoxyphenyl)methyl]-2-butoxypropanamide
SMILESCCCCOC(C)C(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C22H29NO4/c1-5-6-15-27-16(2)22(24)23-21(17-7-11-19(25-3)12-8-17)18-9-13-20(26-4)14-10-18/h7-14,16,21H,5-6,15H2,1-4H3,(H,23,24)
InChIKeyNKAVICXWLMPZOM-UHFFFAOYSA-N
XLogP4.11
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-heptoxy-1-(4-methoxyphenyl)propan-1-one
CID 43800113
1-[(1S)-1-butoxyethyl]-4-methoxybenzene
CID 102525034
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
N-[(S)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]acetamide
CID 878876
N-[(R)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]acetamide
CID 878875
(2R)-2-butoxy-N-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]propanamide
CID 97237186
N-[bis(4-methoxyphenyl)methyl]-2-[butyl(ethyl)amino]acetamide
CID 34603328
(2S)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 2243628
(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 2243631
[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 8011640
N-[bis(4-methoxyphenyl)methyl]-2-chloroacetamide
CID 4962456
N-[bis(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 18197515

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-methoxyphenyl)methyl]-2-butoxypropanamide?
The IUPAC name of N-[bis(4-methoxyphenyl)methyl]-2-butoxypropanamide (CID 48658410) is N-[bis(4-methoxyphenyl)methyl]-2-butoxypropanamide.
What is the SMILES notation for N-[bis(4-methoxyphenyl)methyl]-2-butoxypropanamide?
The canonical SMILES for N-[bis(4-methoxyphenyl)methyl]-2-butoxypropanamide is CCCCOC(C)C(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of N-[bis(4-methoxyphenyl)methyl]-2-butoxypropanamide?
The InChIKey is NKAVICXWLMPZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-5-6-15-27-16(2)22(24)23-21(17-7-11-19(25-3)12-8-17)18-9-13-20(26-4)14-10-18/h7-14,16,21H,5-6,15H2,1-4H3,(H,23,24).
What are the key properties of N-[bis(4-methoxyphenyl)methyl]-2-butoxypropanamide?
N-[bis(4-methoxyphenyl)methyl]-2-butoxypropanamide has a molecular weight of 371.48 g/mol, XLogP of 4.11, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-methoxyphenyl)methyl]-2-butoxypropanamide is sourced from PubChem (CID 48658410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).