N-[4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]-3-pyridinyl]acetamide

C22H30N2O4 — CID 174204040

IUPACN-[4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cnc(OC(C)CCOCCCOCc2ccccc2)cc1C
InChIInChI=1S/C22H30N2O4/c1-17-14-22(23-15-21(17)24-19(3)25)28-18(2)10-13-26-11-7-12-27-16-20-8-5-4-6-9-20/h4-6,8-9,14-15,18H,7,10-13,16H2,1-3H3,(H,24,25)
InChIKeyQBUDXNUIWYGVPI-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.13
Rot. Bonds12

About N-[4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]-3-pyridinyl]acetamide

N-[4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]-3-pyridinyl]acetamide (PubChem CID 174204040) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is N-[4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]-3-pyridinyl]acetamide
PubChem CID174204040
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC NameN-[4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cnc(OC(C)CCOCCCOCc2ccccc2)cc1C
InChIInChI=1S/C22H30N2O4/c1-17-14-22(23-15-21(17)24-19(3)25)28-18(2)10-13-26-11-7-12-27-16-20-8-5-4-6-9-20/h4-6,8-9,14-15,18H,7,10-13,16H2,1-3H3,(H,24,25)
InChIKeyQBUDXNUIWYGVPI-UHFFFAOYSA-N
XLogP4.13
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]pyridin-3-amine
CID 174210532
1-[5-[(2R)-4-(3-phenylmethoxypropoxy)butan-2-yl]oxypyrazolo[3,4-c]pyridin-2-yl]ethanone
CID 165127489
3-iodo-1-(oxan-2-yl)-5-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]pyrazolo[3,4-c]pyridine
CID 174203496
3-methyl-6-phenylmethoxyhexan-2-one
CID 15686946
(2S)-2-acetamido-4-phenylmethoxybutanoic acid
CID 129322933
4-hydroxy-3-methyl-7-phenylmethoxyheptan-2-one
CID 18338993
3-methyl-N-phenyl-5-phenylmethoxypentanamide
CID 175774392
dimethyl 2-(3-phenylmethoxypropyl)propanedioate
CID 170992106
acetic acid;butoxymethylbenzene
CID 139463153
3-phenylmethoxypropyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
CID 13132208
1-(4-methyl-6-phenylmethoxy-3-pyridinyl)ethanol
CID 102545457
1-[4-(3-phenylmethoxypropoxy)phenyl]ethanone
CID 21110216

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]-3-pyridinyl]acetamide?
The IUPAC name of N-[4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]-3-pyridinyl]acetamide (CID 174204040) is N-[4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]-3-pyridinyl]acetamide?
The canonical SMILES for N-[4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]-3-pyridinyl]acetamide is CC(=O)Nc1cnc(OC(C)CCOCCCOCc2ccccc2)cc1C.
What is the InChIKey of N-[4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]-3-pyridinyl]acetamide?
The InChIKey is QBUDXNUIWYGVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-17-14-22(23-15-21(17)24-19(3)25)28-18(2)10-13-26-11-7-12-27-16-20-8-5-4-6-9-20/h4-6,8-9,14-15,18H,7,10-13,16H2,1-3H3,(H,24,25).
What are the key properties of N-[4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]-3-pyridinyl]acetamide?
N-[4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]-3-pyridinyl]acetamide has a molecular weight of 386.49 g/mol, XLogP of 4.13, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]-3-pyridinyl]acetamide is sourced from PubChem (CID 174204040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).