N-[2,5-diethoxy-4-(phenylcarbamoylamino)phenyl]-2-methylpropanamide

C21H27N3O4 — CID 1428145

IUPACN-[2,5-diethoxy-4-(phenylcarbamoylamino)phenyl]-2-methylpropanamide
SMILESCCOc1cc(NC(=O)C(C)C)c(OCC)cc1NC(=O)Nc1ccccc1
InChIInChI=1S/C21H27N3O4/c1-5-27-18-13-17(24-21(26)22-15-10-8-7-9-11-15)19(28-6-2)12-16(18)23-20(25)14(3)4/h7-14H,5-6H2,1-4H3,(H,23,25)(H2,22,24,26)
InChIKeyVVJRIUDSPOGYEV-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.72
Rot. Bonds8

About N-[2,5-diethoxy-4-(phenylcarbamoylamino)phenyl]-2-methylpropanamide

N-[2,5-diethoxy-4-(phenylcarbamoylamino)phenyl]-2-methylpropanamide (PubChem CID 1428145) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[2,5-diethoxy-4-(phenylcarbamoylamino)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2,5-diethoxy-4-(phenylcarbamoylamino)phenyl]-2-methylpropanamide
PubChem CID1428145
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[2,5-diethoxy-4-(phenylcarbamoylamino)phenyl]-2-methylpropanamide
SMILESCCOc1cc(NC(=O)C(C)C)c(OCC)cc1NC(=O)Nc1ccccc1
InChIInChI=1S/C21H27N3O4/c1-5-27-18-13-17(24-21(26)22-15-10-8-7-9-11-15)19(28-6-2)12-16(18)23-20(25)14(3)4/h7-14H,5-6H2,1-4H3,(H,23,25)(H2,22,24,26)
InChIKeyVVJRIUDSPOGYEV-UHFFFAOYSA-N
XLogP4.72
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,5-diethoxy-4-[(3-methoxyphenyl)carbamothioylamino]phenyl]-2-methylpropanamide
CID 1172440
N-[2,5-diethoxy-4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 1051988
1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867158
ethyl 4-ethoxy-5-methoxy-2-[2-[4-(phenylcarbamoylamino)phenyl]propanoylamino]benzoate
CID 70107357
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-[2,5-diethoxy-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 5163768
N-[2,5-diethoxy-4-[(2-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 1428113
N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817227
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867070
[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 8981924
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044

Frequently Asked Questions

What is the IUPAC name of N-[2,5-diethoxy-4-(phenylcarbamoylamino)phenyl]-2-methylpropanamide?
The IUPAC name of N-[2,5-diethoxy-4-(phenylcarbamoylamino)phenyl]-2-methylpropanamide (CID 1428145) is N-[2,5-diethoxy-4-(phenylcarbamoylamino)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[2,5-diethoxy-4-(phenylcarbamoylamino)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[2,5-diethoxy-4-(phenylcarbamoylamino)phenyl]-2-methylpropanamide is CCOc1cc(NC(=O)C(C)C)c(OCC)cc1NC(=O)Nc1ccccc1.
What is the InChIKey of N-[2,5-diethoxy-4-(phenylcarbamoylamino)phenyl]-2-methylpropanamide?
The InChIKey is VVJRIUDSPOGYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-5-27-18-13-17(24-21(26)22-15-10-8-7-9-11-15)19(28-6-2)12-16(18)23-20(25)14(3)4/h7-14H,5-6H2,1-4H3,(H,23,25)(H2,22,24,26).
What are the key properties of N-[2,5-diethoxy-4-(phenylcarbamoylamino)phenyl]-2-methylpropanamide?
N-[2,5-diethoxy-4-(phenylcarbamoylamino)phenyl]-2-methylpropanamide has a molecular weight of 385.46 g/mol, XLogP of 4.72, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-diethoxy-4-(phenylcarbamoylamino)phenyl]-2-methylpropanamide is sourced from PubChem (CID 1428145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).