N-[3-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide

C22H25N3O5 — CID 55655729

IUPACN-[3-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCCNC(=O)COc1cccc(NC(=O)c2cccc(NC(=O)C3CCCO3)c2)c1
InChIInChI=1S/C22H25N3O5/c1-2-23-20(26)14-30-18-9-4-8-17(13-18)24-21(27)15-6-3-7-16(12-15)25-22(28)19-10-5-11-29-19/h3-4,6-9,12-13,19H,2,5,10-11,14H2,1H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyGMZKOJSTNLFLRC-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.57
Rot. Bonds8

About N-[3-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide

N-[3-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 55655729) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[3-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID55655729
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC NameN-[3-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCCNC(=O)COc1cccc(NC(=O)c2cccc(NC(=O)C3CCCO3)c2)c1
InChIInChI=1S/C22H25N3O5/c1-2-23-20(26)14-30-18-9-4-8-17(13-18)24-21(27)15-6-3-7-16(12-15)25-22(28)19-10-5-11-29-19/h3-4,6-9,12-13,19H,2,5,10-11,14H2,1H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyGMZKOJSTNLFLRC-UHFFFAOYSA-N
XLogP2.57
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]oxolane-2-carboxamide
CID 32936903
2-[3-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate
CID 7126486
(2R)-N-[3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 32979083
N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943946
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-iodobenzamide
CID 39043842
N-[3-[[6-(diethylamino)-3-pyridinyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 55784217
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 55777943
N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 119643641
N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943923
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-methylsulfonylbenzamide
CID 39044484

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide (CID 55655729) is N-[3-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide is CCNC(=O)COc1cccc(NC(=O)c2cccc(NC(=O)C3CCCO3)c2)c1.
What is the InChIKey of N-[3-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is GMZKOJSTNLFLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-2-23-20(26)14-30-18-9-4-8-17(13-18)24-21(27)15-6-3-7-16(12-15)25-22(28)19-10-5-11-29-19/h3-4,6-9,12-13,19H,2,5,10-11,14H2,1H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-[3-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 2.57, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 55655729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).