N-ethyl-4-[[(3R)-oxolan-3-yl]carbamoylamino]-N-phenylbenzamide

C20H23N3O3 — CID 97272330

IUPACN-ethyl-4-[[(3R)-oxolan-3-yl]carbamoylamino]-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(NC(=O)N[C@@H]2CCOC2)cc1)c1ccccc1
InChIInChI=1S/C20H23N3O3/c1-2-23(18-6-4-3-5-7-18)19(24)15-8-10-16(11-9-15)21-20(25)22-17-12-13-26-14-17/h3-11,17H,2,12-14H2,1H3,(H2,21,22,25)/t17-/m1/s1
InChIKeyNBGFSCPECVOUSS-QGZVFWFLSA-N
MW353.42 g/mol
LogP3.26
Rot. Bonds5

About N-ethyl-4-[[(3R)-oxolan-3-yl]carbamoylamino]-N-phenylbenzamide

N-ethyl-4-[[(3R)-oxolan-3-yl]carbamoylamino]-N-phenylbenzamide (PubChem CID 97272330) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-ethyl-4-[[(3R)-oxolan-3-yl]carbamoylamino]-N-phenylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-[[(3R)-oxolan-3-yl]carbamoylamino]-N-phenylbenzamide
PubChem CID97272330
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-ethyl-4-[[(3R)-oxolan-3-yl]carbamoylamino]-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(NC(=O)N[C@@H]2CCOC2)cc1)c1ccccc1
InChIInChI=1S/C20H23N3O3/c1-2-23(18-6-4-3-5-7-18)19(24)15-8-10-16(11-9-15)21-20(25)22-17-12-13-26-14-17/h3-11,17H,2,12-14H2,1H3,(H2,21,22,25)/t17-/m1/s1
InChIKeyNBGFSCPECVOUSS-QGZVFWFLSA-N
XLogP3.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[(3R)-oxolan-3-yl]carbamoylamino]-N-phenylbenzamide?
The IUPAC name of N-ethyl-4-[[(3R)-oxolan-3-yl]carbamoylamino]-N-phenylbenzamide (CID 97272330) is N-ethyl-4-[[(3R)-oxolan-3-yl]carbamoylamino]-N-phenylbenzamide.
What is the SMILES notation for N-ethyl-4-[[(3R)-oxolan-3-yl]carbamoylamino]-N-phenylbenzamide?
The canonical SMILES for N-ethyl-4-[[(3R)-oxolan-3-yl]carbamoylamino]-N-phenylbenzamide is CCN(C(=O)c1ccc(NC(=O)N[C@@H]2CCOC2)cc1)c1ccccc1.
What is the InChIKey of N-ethyl-4-[[(3R)-oxolan-3-yl]carbamoylamino]-N-phenylbenzamide?
The InChIKey is NBGFSCPECVOUSS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-2-23(18-6-4-3-5-7-18)19(24)15-8-10-16(11-9-15)21-20(25)22-17-12-13-26-14-17/h3-11,17H,2,12-14H2,1H3,(H2,21,22,25)/t17-/m1/s1.
What are the key properties of N-ethyl-4-[[(3R)-oxolan-3-yl]carbamoylamino]-N-phenylbenzamide?
N-ethyl-4-[[(3R)-oxolan-3-yl]carbamoylamino]-N-phenylbenzamide has a molecular weight of 353.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[(3R)-oxolan-3-yl]carbamoylamino]-N-phenylbenzamide is sourced from PubChem (CID 97272330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).