N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]oxolane-2-carboxamide

C18H26N2O4 — CID 113055816

IUPACN-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]oxolane-2-carboxamide
SMILESCOc1ccccc1CCN(CCNC(=O)C1CCCO1)C(C)=O
InChIInChI=1S/C18H26N2O4/c1-14(21)20(11-9-15-6-3-4-7-16(15)23-2)12-10-19-18(22)17-8-5-13-24-17/h3-4,6-7,17H,5,8-13H2,1-2H3,(H,19,22)
InChIKeyQIGACDDIGDJONI-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.38
Rot. Bonds8

About N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]oxolane-2-carboxamide

N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]oxolane-2-carboxamide (PubChem CID 113055816) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]oxolane-2-carboxamide
PubChem CID113055816
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]oxolane-2-carboxamide
SMILESCOc1ccccc1CCN(CCNC(=O)C1CCCO1)C(C)=O
InChIInChI=1S/C18H26N2O4/c1-14(21)20(11-9-15-6-3-4-7-16(15)23-2)12-10-19-18(22)17-8-5-13-24-17/h3-4,6-7,17H,5,8-13H2,1-2H3,(H,19,22)
InChIKeyQIGACDDIGDJONI-UHFFFAOYSA-N
XLogP1.38
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]oxolane-2-carboxamide
CID 113055726
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]propanamide
CID 113055809
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenylacetamide
CID 113055835
N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]oxolane-2-carboxamide
CID 112983505
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-4-fluorobenzamide
CID 113055827
N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide
CID 113057159
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110789686
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenoxyacetamide
CID 113055840
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-chlorobenzamide
CID 113055841
N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]oxolane-2-carboxamide
CID 110321707
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]oxolane-2-carboxamide
CID 110788043
N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 103808140

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]oxolane-2-carboxamide (CID 113055816) is N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]oxolane-2-carboxamide is COc1ccccc1CCN(CCNC(=O)C1CCCO1)C(C)=O.
What is the InChIKey of N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]oxolane-2-carboxamide?
The InChIKey is QIGACDDIGDJONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-14(21)20(11-9-15-6-3-4-7-16(15)23-2)12-10-19-18(22)17-8-5-13-24-17/h3-4,6-7,17H,5,8-13H2,1-2H3,(H,19,22).
What are the key properties of N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]oxolane-2-carboxamide?
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]oxolane-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 113055816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).