N-[3-(aminomethyl)pentan-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

C18H27N3O3 — CID 119570570

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESCCC(CC)(CN)NC(=O)COc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H27N3O3/c1-3-18(4-2,13-19)20-16(22)12-24-15-9-7-14(8-10-15)21-11-5-6-17(21)23/h7-10H,3-6,11-13,19H2,1-2H3,(H,20,22)
InChIKeyKWJWXNYUFNDKJI-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.83
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

N-[3-(aminomethyl)pentan-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (PubChem CID 119570570) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
PubChem CID119570570
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESCCC(CC)(CN)NC(=O)COc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H27N3O3/c1-3-18(4-2,13-19)20-16(22)12-24-15-9-7-14(8-10-15)21-11-5-6-17(21)23/h7-10H,3-6,11-13,19H2,1-2H3,(H,20,22)
InChIKeyKWJWXNYUFNDKJI-UHFFFAOYSA-N
XLogP1.83
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminohexan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119667044
N-[3-(aminomethyl)pentan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 119570439
N-(3-methylbutan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 51228621
N-(3,3-dimethyl-2-oxobutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 75393801
N-(3-methylbutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26685980
N'-(4-fluorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetohydrazide
CID 71901454
N-(3,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26685964
1-[4-[2-(4-propanoylphenoxy)acetyl]phenyl]pyrrolidin-2-one
CID 8650952
methyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate
CID 26685968
[2-oxo-2-(pentylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 38901895
2-(4-methoxyphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687329
ethyl 3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate
CID 32621761

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (CID 119570570) is N-[3-(aminomethyl)pentan-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is CCC(CC)(CN)NC(=O)COc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The InChIKey is KWJWXNYUFNDKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-3-18(4-2,13-19)20-16(22)12-24-15-9-7-14(8-10-15)21-11-5-6-17(21)23/h7-10H,3-6,11-13,19H2,1-2H3,(H,20,22).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
N-[3-(aminomethyl)pentan-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide has a molecular weight of 333.43 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is sourced from PubChem (CID 119570570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).