1-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]cyclopentane-1-carboxamide

C17H25N3O3 — CID 119283211

IUPAC1-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]cyclopentane-1-carboxamide
SMILESCN(C)C(=O)COc1cccc(CNC(=O)C2(N)CCCC2)c1
InChIInChI=1S/C17H25N3O3/c1-20(2)15(21)12-23-14-7-5-6-13(10-14)11-19-16(22)17(18)8-3-4-9-17/h5-7,10H,3-4,8-9,11-12,18H2,1-2H3,(H,19,22)
InChIKeySNJKGZLQINMVJM-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.04
Rot. Bonds6

About 1-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]cyclopentane-1-carboxamide

1-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 119283211) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID119283211
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name1-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]cyclopentane-1-carboxamide
SMILESCN(C)C(=O)COc1cccc(CNC(=O)C2(N)CCCC2)c1
InChIInChI=1S/C17H25N3O3/c1-20(2)15(21)12-23-14-7-5-6-13(10-14)11-19-16(22)17(18)8-3-4-9-17/h5-7,10H,3-4,8-9,11-12,18H2,1-2H3,(H,19,22)
InChIKeySNJKGZLQINMVJM-UHFFFAOYSA-N
XLogP1.04
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119302175
methyl 2-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenoxy]acetate
CID 119787093
1-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 119740364
1-amino-N-[(3-butoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 83326258
3-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]propanamide;hydrochloride
CID 119283198
1-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 119875616
1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
CID 119334714
2-[3-[[[C-(3,3-dimethylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 111738498
N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922663
N,N-dimethyl-2-[3-[[[(1S,3R)-3-methylcyclohexyl]carbamoylamino]methyl]phenoxy]acetamide
CID 94805828
N,N-dimethyl-2-[3-[[[(1R,3S)-3-methylcyclohexyl]carbamoylamino]methyl]phenoxy]acetamide
CID 94805831
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 103796386

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]cyclopentane-1-carboxamide (CID 119283211) is 1-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]cyclopentane-1-carboxamide is CN(C)C(=O)COc1cccc(CNC(=O)C2(N)CCCC2)c1.
What is the InChIKey of 1-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is SNJKGZLQINMVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-20(2)15(21)12-23-14-7-5-6-13(10-14)11-19-16(22)17(18)8-3-4-9-17/h5-7,10H,3-4,8-9,11-12,18H2,1-2H3,(H,19,22).
What are the key properties of 1-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]cyclopentane-1-carboxamide?
1-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119283211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).