4-[[(2R)-1,4-dioxan-2-yl]methylcarbamoylamino]-N-ethyl-N-phenylbenzamide

C21H25N3O4 — CID 97283753

IUPAC4-[[(2R)-1,4-dioxan-2-yl]methylcarbamoylamino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(NC(=O)NC[C@@H]2COCCO2)cc1)c1ccccc1
InChIInChI=1S/C21H25N3O4/c1-2-24(18-6-4-3-5-7-18)20(25)16-8-10-17(11-9-16)23-21(26)22-14-19-15-27-12-13-28-19/h3-11,19H,2,12-15H2,1H3,(H2,22,23,26)/t19-/m1/s1
InChIKeyVAMYZGTUHXNORE-LJQANCHMSA-N
MW383.45 g/mol
LogP2.89
Rot. Bonds6

About 4-[[(2R)-1,4-dioxan-2-yl]methylcarbamoylamino]-N-ethyl-N-phenylbenzamide

4-[[(2R)-1,4-dioxan-2-yl]methylcarbamoylamino]-N-ethyl-N-phenylbenzamide (PubChem CID 97283753) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-[[(2R)-1,4-dioxan-2-yl]methylcarbamoylamino]-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[(2R)-1,4-dioxan-2-yl]methylcarbamoylamino]-N-ethyl-N-phenylbenzamide
PubChem CID97283753
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name4-[[(2R)-1,4-dioxan-2-yl]methylcarbamoylamino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(NC(=O)NC[C@@H]2COCCO2)cc1)c1ccccc1
InChIInChI=1S/C21H25N3O4/c1-2-24(18-6-4-3-5-7-18)20(25)16-8-10-17(11-9-16)23-21(26)22-14-19-15-27-12-13-28-19/h3-11,19H,2,12-15H2,1H3,(H2,22,23,26)/t19-/m1/s1
InChIKeyVAMYZGTUHXNORE-LJQANCHMSA-N
XLogP2.89
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(2R)-1,4-dioxan-2-yl]methylcarbamoylamino]-N-ethyl-N-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-4-[[(3R)-oxolan-3-yl]carbamoylamino]-N-phenylbenzamide
CID 97272330
ethyl N-[4-[[(2S)-1,4-dioxan-2-yl]methylcarbamoylamino]phenyl]carbamate
CID 94653303
1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-(4-methylsulfonylphenyl)urea
CID 94652752
1-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(4-methylsulfonylphenyl)urea
CID 94652754
1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(2-methoxyphenoxy)phenyl]urea
CID 94652910
1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(4-methoxyphenyl)phenyl]urea
CID 125178084
4-(1,4-dioxan-2-ylmethylcarbamoylamino)-3-methylbenzoic acid
CID 61209023
N-[4-[ethyl(phenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 54787600
4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
CID 109049216
1-[[(2S)-1,4-dioxan-2-yl]methyl]-3-[4-phenyl-3-(trifluoromethyl)phenyl]urea
CID 94655499
N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 1243669
1-(2H-benzotriazol-5-yl)-3-[[(2S)-1,4-dioxan-2-yl]methyl]urea
CID 125157213

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1,4-dioxan-2-yl]methylcarbamoylamino]-N-ethyl-N-phenylbenzamide?
The IUPAC name of 4-[[(2R)-1,4-dioxan-2-yl]methylcarbamoylamino]-N-ethyl-N-phenylbenzamide (CID 97283753) is 4-[[(2R)-1,4-dioxan-2-yl]methylcarbamoylamino]-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 4-[[(2R)-1,4-dioxan-2-yl]methylcarbamoylamino]-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 4-[[(2R)-1,4-dioxan-2-yl]methylcarbamoylamino]-N-ethyl-N-phenylbenzamide is CCN(C(=O)c1ccc(NC(=O)NC[C@@H]2COCCO2)cc1)c1ccccc1.
What is the InChIKey of 4-[[(2R)-1,4-dioxan-2-yl]methylcarbamoylamino]-N-ethyl-N-phenylbenzamide?
The InChIKey is VAMYZGTUHXNORE-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-2-24(18-6-4-3-5-7-18)20(25)16-8-10-17(11-9-16)23-21(26)22-14-19-15-27-12-13-28-19/h3-11,19H,2,12-15H2,1H3,(H2,22,23,26)/t19-/m1/s1.
What are the key properties of 4-[[(2R)-1,4-dioxan-2-yl]methylcarbamoylamino]-N-ethyl-N-phenylbenzamide?
4-[[(2R)-1,4-dioxan-2-yl]methylcarbamoylamino]-N-ethyl-N-phenylbenzamide has a molecular weight of 383.45 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1,4-dioxan-2-yl]methylcarbamoylamino]-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 97283753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).