N-[4-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]phenyl]butan-2-yl]acetamide

C21H28N2O2 — CID 144549853

IUPACN-[4-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]phenyl]butan-2-yl]acetamide
SMILESCC(=O)NC(C)CCc1ccc(Cc2ccc(OC(C)C)nc2)cc1
InChIInChI=1S/C21H28N2O2/c1-15(2)25-21-12-11-20(14-22-21)13-19-9-7-18(8-10-19)6-5-16(3)23-17(4)24/h7-12,14-16H,5-6,13H2,1-4H3,(H,23,24)
InChIKeyIDRAZGPIWMTFER-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.92
Rot. Bonds8

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

N-[4-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]phenyl]butan-2-yl]acetamide (PubChem CID 144549853) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[4-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]phenyl]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]phenyl]butan-2-yl]acetamide
PubChem CID144549853
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[4-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]phenyl]butan-2-yl]acetamide
SMILESCC(=O)NC(C)CCc1ccc(Cc2ccc(OC(C)C)nc2)cc1
InChIInChI=1S/C21H28N2O2/c1-15(2)25-21-12-11-20(14-22-21)13-19-9-7-18(8-10-19)6-5-16(3)23-17(4)24/h7-12,14-16H,5-6,13H2,1-4H3,(H,23,24)
InChIKeyIDRAZGPIWMTFER-UHFFFAOYSA-N
XLogP3.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-propan-2-yloxy-3-pyridinyl)acetic acid
CID 84666013
(2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 94173164
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
2-(6-propan-2-yloxy-3-pyridinyl)acetamide
CID 173496816
N-[4-[4-[(6-fluoro-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide
CID 67302905
5-(bromomethyl)-2-propan-2-yloxypyridine
CID 130153198
2-(methylamino)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide
CID 119720978
(3S)-3-methyl-5-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]pentanamide
CID 140565587
5-(isocyanomethyl)-2-propan-2-yloxypyridine
CID 87652997
N-[4-[4-(2-chloroacetyl)phenyl]butan-2-yl]acetamide
CID 4962168
3-[4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]phenyl]propanoic acid
CID 119252399
N-[4-(4-hydroxyphenyl)butan-2-yl]acetamide;N-[4-[4-[[5-(oxolan-3-yloxy)-2-pyridinyl]oxy]phenyl]butan-2-yl]acetamide
CID 67071747

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]phenyl]butan-2-yl]acetamide?
The IUPAC name of N-[4-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]phenyl]butan-2-yl]acetamide (CID 144549853) is N-[4-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]phenyl]butan-2-yl]acetamide.
What is the SMILES notation for N-[4-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]phenyl]butan-2-yl]acetamide?
The canonical SMILES for N-[4-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]phenyl]butan-2-yl]acetamide is CC(=O)NC(C)CCc1ccc(Cc2ccc(OC(C)C)nc2)cc1.
What is the InChIKey of N-[4-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]phenyl]butan-2-yl]acetamide?
The InChIKey is IDRAZGPIWMTFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-15(2)25-21-12-11-20(14-22-21)13-19-9-7-18(8-10-19)6-5-16(3)23-17(4)24/h7-12,14-16H,5-6,13H2,1-4H3,(H,23,24).
What are the key properties of N-[4-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]phenyl]butan-2-yl]acetamide?
N-[4-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]phenyl]butan-2-yl]acetamide has a molecular weight of 340.47 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]phenyl]butan-2-yl]acetamide is sourced from PubChem (CID 144549853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).