N-(1-aminohexan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

C18H27N3O3 — CID 119667044

IUPACN-(1-aminohexan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESCCCCC(CN)NC(=O)COc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H27N3O3/c1-2-3-5-14(12-19)20-17(22)13-24-16-9-7-15(8-10-16)21-11-4-6-18(21)23/h7-10,14H,2-6,11-13,19H2,1H3,(H,20,22)
InChIKeyVRCZVMNKGYBNMP-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.83
Rot. Bonds9

About N-(1-aminohexan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

N-(1-aminohexan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (PubChem CID 119667044) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
PubChem CID119667044
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-(1-aminohexan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESCCCCC(CN)NC(=O)COc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H27N3O3/c1-2-3-5-14(12-19)20-17(22)13-24-16-9-7-15(8-10-16)21-11-4-6-18(21)23/h7-10,14H,2-6,11-13,19H2,1H3,(H,20,22)
InChIKeyVRCZVMNKGYBNMP-UHFFFAOYSA-N
XLogP1.83
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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-(3-methylbutan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 51228621
N-[3-(aminomethyl)pentan-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119570570
N-(1-aminohexan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride
CID 119665333
[2-oxo-2-(pentylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 38901895
N-(3-methylbutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26685980
N-(1-aminohexan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 119666520
[2-oxo-2-(1-phenylbutylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 55444121
N-(1-aminohexan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119667507
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 94015362
(2S)-2-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-2-phenylacetic acid
CID 119372482
[2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 55442410
N-(3,3-dimethyl-2-oxobutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 75393801

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The IUPAC name of N-(1-aminohexan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (CID 119667044) is N-(1-aminohexan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is CCCCC(CN)NC(=O)COc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The InChIKey is VRCZVMNKGYBNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-2-3-5-14(12-19)20-17(22)13-24-16-9-7-15(8-10-16)21-11-4-6-18(21)23/h7-10,14H,2-6,11-13,19H2,1H3,(H,20,22).
What are the key properties of N-(1-aminohexan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
N-(1-aminohexan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide has a molecular weight of 333.43 g/mol, XLogP of 1.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is sourced from PubChem (CID 119667044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).