2-(3-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide

C23H30N2O2 — CID 133187856

IUPAC2-(3-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)NCc1ccccc1CN1CCCC1
InChIInChI=1S/C23H30N2O2/c1-3-22(27-21-12-8-9-18(2)15-21)23(26)24-16-19-10-4-5-11-20(19)17-25-13-6-7-14-25/h4-5,8-12,15,22H,3,6-7,13-14,16-17H2,1-2H3,(H,24,26)
InChIKeySUZRUEGEGVLOTO-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.06
Rot. Bonds8

About 2-(3-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide

2-(3-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide (PubChem CID 133187856) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
PubChem CID133187856
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2-(3-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)NCc1ccccc1CN1CCCC1
InChIInChI=1S/C23H30N2O2/c1-3-22(27-21-12-8-9-18(2)15-21)23(26)24-16-19-10-4-5-11-20(19)17-25-13-6-7-14-25/h4-5,8-12,15,22H,3,6-7,13-14,16-17H2,1-2H3,(H,24,26)
InChIKeySUZRUEGEGVLOTO-UHFFFAOYSA-N
XLogP4.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[3-(azepan-1-yl)propyl]-2-(3-methylphenoxy)butanamide
CID 30399469
2-naphthalen-1-yloxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133166238
(2S)-2-(3-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 99818249
N-[(2,5-diethylphenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 133162435
2-(3-chlorophenoxy)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133189215
(2S)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100700382
2-phenoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 51237843
2-(4-ethylphenoxy)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133189295
(2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 99131487
2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 43904963
(2S)-2-(3,4-dimethylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015557
2-(3-methylphenoxy)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119393618

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide (CID 133187856) is 2-(3-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide is CCC(Oc1cccc(C)c1)C(=O)NCc1ccccc1CN1CCCC1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide?
The InChIKey is SUZRUEGEGVLOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-3-22(27-21-12-8-9-18(2)15-21)23(26)24-16-19-10-4-5-11-20(19)17-25-13-6-7-14-25/h4-5,8-12,15,22H,3,6-7,13-14,16-17H2,1-2H3,(H,24,26).
What are the key properties of 2-(3-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide?
2-(3-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide has a molecular weight of 366.51 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 133187856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).