N-[5-chloro-2-(dimethylamino)phenyl]-2-(oxolan-2-ylmethylamino)acetamide

C15H22ClN3O2 — CID 119858088

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)CNCC1CCCO1
InChIInChI=1S/C15H22ClN3O2/c1-19(2)14-6-5-11(16)8-13(14)18-15(20)10-17-9-12-4-3-7-21-12/h5-6,8,12,17H,3-4,7,9-10H2,1-2H3,(H,18,20)
InChIKeyHARZXDZSWAAMIX-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.11
Rot. Bonds6

About N-[5-chloro-2-(dimethylamino)phenyl]-2-(oxolan-2-ylmethylamino)acetamide

N-[5-chloro-2-(dimethylamino)phenyl]-2-(oxolan-2-ylmethylamino)acetamide (PubChem CID 119858088) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-2-(oxolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
PubChem CID119858088
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)CNCC1CCCO1
InChIInChI=1S/C15H22ClN3O2/c1-19(2)14-6-5-11(16)8-13(14)18-15(20)10-17-9-12-4-3-7-21-12/h5-6,8,12,17H,3-4,7,9-10H2,1-2H3,(H,18,20)
InChIKeyHARZXDZSWAAMIX-UHFFFAOYSA-N
XLogP2.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119689777
N-[5-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55337026
N-[5-chloro-2-(dimethylamino)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914827
N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 2078790
1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 51427378
N-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119670892
N-(3-methyl-4-pyridinyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
CID 124698301
N-(4-methyl-3-pyridinyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 124697742
N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
N-[(2,4-dichlorophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119674688
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119685461
N-(5-chloro-2-methylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 94025746

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-2-(oxolan-2-ylmethylamino)acetamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-2-(oxolan-2-ylmethylamino)acetamide (CID 119858088) is N-[5-chloro-2-(dimethylamino)phenyl]-2-(oxolan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-2-(oxolan-2-ylmethylamino)acetamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-2-(oxolan-2-ylmethylamino)acetamide is CN(C)c1ccc(Cl)cc1NC(=O)CNCC1CCCO1.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-2-(oxolan-2-ylmethylamino)acetamide?
The InChIKey is HARZXDZSWAAMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-19(2)14-6-5-11(16)8-13(14)18-15(20)10-17-9-12-4-3-7-21-12/h5-6,8,12,17H,3-4,7,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-2-(oxolan-2-ylmethylamino)acetamide?
N-[5-chloro-2-(dimethylamino)phenyl]-2-(oxolan-2-ylmethylamino)acetamide has a molecular weight of 311.81 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-2-(oxolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 119858088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).