N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide

C20H29N3O3 — CID 8960463

IUPACN-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C1CCCC1
InChIInChI=1S/C20H29N3O3/c1-2-22(20(25)16-5-3-4-6-16)15-19(24)21-17-7-9-18(10-8-17)23-11-13-26-14-12-23/h7-10,16H,2-6,11-15H2,1H3,(H,21,24)
InChIKeyHXNBKMIETMVJKV-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.50
Rot. Bonds6

About N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide

N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide (PubChem CID 8960463) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide
PubChem CID8960463
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C1CCCC1
InChIInChI=1S/C20H29N3O3/c1-2-22(20(25)16-5-3-4-6-16)15-19(24)21-17-7-9-18(10-8-17)23-11-13-26-14-12-23/h7-10,16H,2-6,11-15H2,1H3,(H,21,24)
InChIKeyHXNBKMIETMVJKV-UHFFFAOYSA-N
XLogP2.50
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 51156382
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55429418
N-ethyl-2-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
CID 51331192
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55720056
N-ethyl-1-(furan-2-carbonyl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55365472
N-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide
CID 51156379
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55411322
6-chloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 55342135
(2R)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 9409375
N-ethyl-2-(2-fluorophenyl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 8960473
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 51156383

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide?
The IUPAC name of N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide (CID 8960463) is N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide?
The canonical SMILES for N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide is CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C1CCCC1.
What is the InChIKey of N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide?
The InChIKey is HXNBKMIETMVJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-2-22(20(25)16-5-3-4-6-16)15-19(24)21-17-7-9-18(10-8-17)23-11-13-26-14-12-23/h7-10,16H,2-6,11-15H2,1H3,(H,21,24).
What are the key properties of N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide?
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide is sourced from PubChem (CID 8960463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).