(2R)-N-[3-[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide

C19H26N2O4 — CID 94489977

IUPAC(2R)-N-[3-[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCCN(C[C@H]1CCCO1)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1
InChIInChI=1S/C19H26N2O4/c1-2-21(13-16-8-4-10-24-16)19(23)14-6-3-7-15(12-14)20-18(22)17-9-5-11-25-17/h3,6-7,12,16-17H,2,4-5,8-11,13H2,1H3,(H,20,22)/t16-,17-/m1/s1
InChIKeyODFMGSVRUUYRKR-IAGOWNOFSA-N
MW346.43 g/mol
LogP2.45
Rot. Bonds6

About (2R)-N-[3-[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide

(2R)-N-[3-[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 94489977) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2R)-N-[3-[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID94489977
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name(2R)-N-[3-[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCCN(C[C@H]1CCCO1)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1
InChIInChI=1S/C19H26N2O4/c1-2-21(13-16-8-4-10-24-16)19(23)14-6-3-7-15(12-14)20-18(22)17-9-5-11-25-17/h3,6-7,12,16-17H,2,4-5,8-11,13H2,1H3,(H,20,22)/t16-,17-/m1/s1
InChIKeyODFMGSVRUUYRKR-IAGOWNOFSA-N
XLogP2.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[3-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]carbamate
CID 94489762
N-ethyl-N-(oxolan-2-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 47829854
N-[3-[ethyl(phenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46548651
N-[3-[ethyl-(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42891560
ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 2169884
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
methyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate
CID 95314849
3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 9120104
3-acetamido-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 86840469
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
N-[3-(diethylcarbamoyl)phenyl]oxane-4-carboxamide
CID 31973447

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[3-[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide (CID 94489977) is (2R)-N-[3-[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide is CCN(C[C@H]1CCCO1)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1.
What is the InChIKey of (2R)-N-[3-[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is ODFMGSVRUUYRKR-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-2-21(13-16-8-4-10-24-16)19(23)14-6-3-7-15(12-14)20-18(22)17-9-5-11-25-17/h3,6-7,12,16-17H,2,4-5,8-11,13H2,1H3,(H,20,22)/t16-,17-/m1/s1.
What are the key properties of (2R)-N-[3-[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide?
(2R)-N-[3-[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 94489977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).