N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

C21H24ClN3O3 — CID 9389492

IUPACN-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCN(C)[C@@H](CNC(=O)CCCn1c(=O)oc2ccccc21)c1ccccc1Cl
InChIInChI=1S/C21H24ClN3O3/c1-24(2)18(15-8-3-4-9-16(15)22)14-23-20(26)12-7-13-25-17-10-5-6-11-19(17)28-21(25)27/h3-6,8-11,18H,7,12-14H2,1-2H3,(H,23,26)/t18-/m0/s1
InChIKeyXSNRLMQWXPUGME-SFHVURJKSA-N
MW401.89 g/mol
LogP3.45
Rot. Bonds8

About N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (PubChem CID 9389492) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
PubChem CID9389492
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC NameN-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCN(C)[C@@H](CNC(=O)CCCn1c(=O)oc2ccccc21)c1ccccc1Cl
InChIInChI=1S/C21H24ClN3O3/c1-24(2)18(15-8-3-4-9-16(15)22)14-23-20(26)12-7-13-25-17-10-5-6-11-19(17)28-21(25)27/h3-6,8-11,18H,7,12-14H2,1-2H3,(H,23,26)/t18-/m0/s1
InChIKeyXSNRLMQWXPUGME-SFHVURJKSA-N
XLogP3.45
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide with MolForge

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 30594655
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51195731
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 39956388
N'-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N'-phenylbutanehydrazide
CID 18121118
7-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]heptanamide;dihydrochloride
CID 119832233
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 7974357
propan-2-yl 3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]propanoate
CID 18204942
N-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 120828743
N',N'-dibenzyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide
CID 9293605
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 18110295
methyl 6-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]hexanoate
CID 9221034
N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 94159666

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (CID 9389492) is N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.
What is the SMILES notation for N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The canonical SMILES for N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is CN(C)[C@@H](CNC(=O)CCCn1c(=O)oc2ccccc21)c1ccccc1Cl.
What is the InChIKey of N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The InChIKey is XSNRLMQWXPUGME-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c1-24(2)18(15-8-3-4-9-16(15)22)14-23-20(26)12-7-13-25-17-10-5-6-11-19(17)28-21(25)27/h3-6,8-11,18H,7,12-14H2,1-2H3,(H,23,26)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide has a molecular weight of 401.89 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is sourced from PubChem (CID 9389492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).