2-amino-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-phenylpropanamide;hydrochloride

C21H27ClN4O3 — CID 120587797

IUPAC2-amino-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-phenylpropanamide;hydrochloride
SMILESCC(N)(C(=O)Nc1ccc(NC(=O)NCC2CCCO2)cc1)c1ccccc1.Cl
InChIInChI=1S/C21H26N4O3.ClH/c1-21(22,15-6-3-2-4-7-15)19(26)24-16-9-11-17(12-10-16)25-20(27)23-14-18-8-5-13-28-18;/h2-4,6-7,9-12,18H,5,8,13-14,22H2,1H3,(H,24,26)(H2,23,25,27);1H
InChIKeyFQZAAYIJLHLGDF-UHFFFAOYSA-N
MW418.93 g/mol
LogP3.22
Rot. Bonds6

About 2-amino-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-phenylpropanamide;hydrochloride

2-amino-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-phenylpropanamide;hydrochloride (PubChem CID 120587797) has the molecular formula C21H27ClN4O3 and a molecular weight of 418.93 g/mol. Its IUPAC name is 2-amino-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-phenylpropanamide;hydrochloride
PubChem CID120587797
Molecular FormulaC21H27ClN4O3
Molecular Weight418.93 g/mol
Exact Mass418.18
IUPAC Name2-amino-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-phenylpropanamide;hydrochloride
SMILESCC(N)(C(=O)Nc1ccc(NC(=O)NCC2CCCO2)cc1)c1ccccc1.Cl
InChIInChI=1S/C21H26N4O3.ClH/c1-21(22,15-6-3-2-4-7-15)19(26)24-16-9-11-17(12-10-16)25-20(27)23-14-18-8-5-13-28-18;/h2-4,6-7,9-12,18H,5,8,13-14,22H2,1H3,(H,24,26)(H2,23,25,27);1H
InChIKeyFQZAAYIJLHLGDF-UHFFFAOYSA-N
XLogP3.22
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 3540035
2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 119701961
2-(oxolan-2-ylmethylcarbamoylamino)-2-phenylpropanoic acid
CID 16786304
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 108875185
2-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974690
4-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoylamino]butanoic acid
CID 122079897
4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180641
2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 119701973
1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 134039404
2-methyl-N-(oxolan-2-ylmethyl)-2,3-diphenylpropanamide
CID 110299379
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-phenylpropanamide;hydrochloride (CID 120587797) is 2-amino-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-phenylpropanamide;hydrochloride is CC(N)(C(=O)Nc1ccc(NC(=O)NCC2CCCO2)cc1)c1ccccc1.Cl.
What is the InChIKey of 2-amino-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-phenylpropanamide;hydrochloride?
The InChIKey is FQZAAYIJLHLGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3.ClH/c1-21(22,15-6-3-2-4-7-15)19(26)24-16-9-11-17(12-10-16)25-20(27)23-14-18-8-5-13-28-18;/h2-4,6-7,9-12,18H,5,8,13-14,22H2,1H3,(H,24,26)(H2,23,25,27);1H.
What are the key properties of 2-amino-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-phenylpropanamide;hydrochloride?
2-amino-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-phenylpropanamide;hydrochloride has a molecular weight of 418.93 g/mol, XLogP of 3.22, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120587797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).