N-[2-[4-(diethylamino)anilino]-2-oxoethyl]oxane-4-carboxamide

C18H27N3O3 — CID 113000138

IUPACN-[2-[4-(diethylamino)anilino]-2-oxoethyl]oxane-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)CNC(=O)C2CCOCC2)cc1
InChIInChI=1S/C18H27N3O3/c1-3-21(4-2)16-7-5-15(6-8-16)20-17(22)13-19-18(23)14-9-11-24-12-10-14/h5-8,14H,3-4,9-13H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyNHGXXBUFJIINSV-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.01
Rot. Bonds7

About N-[2-[4-(diethylamino)anilino]-2-oxoethyl]oxane-4-carboxamide

N-[2-[4-(diethylamino)anilino]-2-oxoethyl]oxane-4-carboxamide (PubChem CID 113000138) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[2-[4-(diethylamino)anilino]-2-oxoethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(diethylamino)anilino]-2-oxoethyl]oxane-4-carboxamide
PubChem CID113000138
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[2-[4-(diethylamino)anilino]-2-oxoethyl]oxane-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)CNC(=O)C2CCOCC2)cc1
InChIInChI=1S/C18H27N3O3/c1-3-21(4-2)16-7-5-15(6-8-16)20-17(22)13-19-18(23)14-9-11-24-12-10-14/h5-8,14H,3-4,9-13H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyNHGXXBUFJIINSV-UHFFFAOYSA-N
XLogP2.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
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-[4-(diethylamino)phenyl]oxane-4-carboxamide
CID 51188941
N-[2-(4-tert-butylanilino)-2-oxoethyl]oxane-4-carboxamide
CID 112997593
N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 46410880
2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373
N-[2-(4-tert-butylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687174
N-[4-(diethylamino)phenyl]-2-(ethylamino)acetamide
CID 60641172
4-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide
CID 60847830
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide
CID 113002379
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-[4-(3-methylbutanoylamino)phenyl]oxane-4-carboxamide
CID 30753597
N-[2-oxo-2-(propan-2-ylamino)ethyl]oxane-4-carboxamide
CID 51220547
N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxane-4-carboxamide
CID 112997122

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(diethylamino)anilino]-2-oxoethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-[4-(diethylamino)anilino]-2-oxoethyl]oxane-4-carboxamide (CID 113000138) is N-[2-[4-(diethylamino)anilino]-2-oxoethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-[4-(diethylamino)anilino]-2-oxoethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-[4-(diethylamino)anilino]-2-oxoethyl]oxane-4-carboxamide is CCN(CC)c1ccc(NC(=O)CNC(=O)C2CCOCC2)cc1.
What is the InChIKey of N-[2-[4-(diethylamino)anilino]-2-oxoethyl]oxane-4-carboxamide?
The InChIKey is NHGXXBUFJIINSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-3-21(4-2)16-7-5-15(6-8-16)20-17(22)13-19-18(23)14-9-11-24-12-10-14/h5-8,14H,3-4,9-13H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of N-[2-[4-(diethylamino)anilino]-2-oxoethyl]oxane-4-carboxamide?
N-[2-[4-(diethylamino)anilino]-2-oxoethyl]oxane-4-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(diethylamino)anilino]-2-oxoethyl]oxane-4-carboxamide is sourced from PubChem (CID 113000138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).