N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide

C19H21N3O3 — CID 42427521

IUPACN-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C19H21N3O3/c23-18(20-13-17-7-4-12-25-17)14-8-10-16(11-9-14)22-19(24)21-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,20,23)(H2,21,22,24)/t17-/m1/s1
InChIKeyYSOAHTFXCZNHAM-QGZVFWFLSA-N
MW339.40 g/mol
LogP3.24
Rot. Bonds5

About N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide

N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide (PubChem CID 42427521) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
PubChem CID42427521
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C19H21N3O3/c23-18(20-13-17-7-4-12-25-17)14-8-10-16(11-9-14)22-19(24)21-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,20,23)(H2,21,22,24)/t17-/m1/s1
InChIKeyYSOAHTFXCZNHAM-QGZVFWFLSA-N
XLogP3.24
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17205676
4-(cyclohexylcarbamoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42579542
methyl N-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamate
CID 713163
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641
4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 3540035
N-(oxolan-2-ylmethyl)-4-[2-(pyridin-3-ylamino)ethylcarbamoylamino]benzamide
CID 72875380
3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide
CID 109103938
N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide
CID 42579530
4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 55527587
4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1292661

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide (CID 42427521) is N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide is O=C(Nc1ccccc1)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide?
The InChIKey is YSOAHTFXCZNHAM-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-18(20-13-17-7-4-12-25-17)14-8-10-16(11-9-14)22-19(24)21-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,20,23)(H2,21,22,24)/t17-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide?
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide has a molecular weight of 339.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 42427521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).