N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C25H30ClN3O4 — CID 56516265

IUPACN-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)C(c2ccccc2)N2CCCCC2=O)cc1Cl
InChIInChI=1S/C25H30ClN3O4/c1-3-28(4-2)23(31)17-33-21-14-13-19(16-20(21)26)27-25(32)24(18-10-6-5-7-11-18)29-15-9-8-12-22(29)30/h5-7,10-11,13-14,16,24H,3-4,8-9,12,15,17H2,1-2H3,(H,27,32)
InChIKeyMQAHIFMQJKFGKL-UHFFFAOYSA-N
MW471.99 g/mol
LogP4.28
Rot. Bonds9

About N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 56516265) has the molecular formula C25H30ClN3O4 and a molecular weight of 471.99 g/mol. Its IUPAC name is N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID56516265
Molecular FormulaC25H30ClN3O4
Molecular Weight471.99 g/mol
Exact Mass471.19
IUPAC NameN-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)C(c2ccccc2)N2CCCCC2=O)cc1Cl
InChIInChI=1S/C25H30ClN3O4/c1-3-28(4-2)23(31)17-33-21-14-13-19(16-20(21)26)27-25(32)24(18-10-6-5-7-11-18)29-15-9-8-12-22(29)30/h5-7,10-11,13-14,16,24H,3-4,8-9,12,15,17H2,1-2H3,(H,27,32)
InChIKeyMQAHIFMQJKFGKL-UHFFFAOYSA-N
XLogP4.28
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-4-[(2-phenylsulfanylacetyl)amino]phenoxy]-N,N-diethylacetamide
CID 39171702
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-chlorophenoxy)acetamide
CID 55611272
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56513978
3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzoic acid
CID 119219540
2-chloro-N,N-diethyl-4-[(2-phenyl-2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 51135599
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 86964025
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515457
2-methoxyethyl N-[3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]phenyl]carbamate
CID 56577209
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505683
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55611037
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119717715
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 56513814

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 56516265) is N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is CCN(CC)C(=O)COc1ccc(NC(=O)C(c2ccccc2)N2CCCCC2=O)cc1Cl.
What is the InChIKey of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is MQAHIFMQJKFGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O4/c1-3-28(4-2)23(31)17-33-21-14-13-19(16-20(21)26)27-25(32)24(18-10-6-5-7-11-18)29-15-9-8-12-22(29)30/h5-7,10-11,13-14,16,24H,3-4,8-9,12,15,17H2,1-2H3,(H,27,32).
What are the key properties of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 471.99 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 56516265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).