2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride

C17H27ClN4O3 — CID 120785655

IUPAC2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)C(N)C2CCOCC2)cc1.Cl
InChIInChI=1S/C17H26N4O3.ClH/c1-11(2)19-17(23)21-14-5-3-13(4-6-14)20-16(22)15(18)12-7-9-24-10-8-12;/h3-6,11-12,15H,7-10,18H2,1-2H3,(H,20,22)(H2,19,21,23);1H
InChIKeyQVCYTUNIPYLPDC-UHFFFAOYSA-N
MW370.88 g/mol
LogP2.33
Rot. Bonds5

About 2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride

2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride (PubChem CID 120785655) has the molecular formula C17H27ClN4O3 and a molecular weight of 370.88 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
PubChem CID120785655
Molecular FormulaC17H27ClN4O3
Molecular Weight370.88 g/mol
Exact Mass370.18
IUPAC Name2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)C(N)C2CCOCC2)cc1.Cl
InChIInChI=1S/C17H26N4O3.ClH/c1-11(2)19-17(23)21-14-5-3-13(4-6-14)20-16(22)15(18)12-7-9-24-10-8-12;/h3-6,11-12,15H,7-10,18H2,1-2H3,(H,20,22)(H2,19,21,23);1H
InChIKeyQVCYTUNIPYLPDC-UHFFFAOYSA-N
XLogP2.33
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 120785656
5-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 120792775
N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-3-methylbutanamide
CID 120785588
2-amino-2-(oxan-4-yl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide
CID 120785442
2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide
CID 120800496
N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-4-chlorobenzamide;hydrochloride
CID 120789553
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide;hydrochloride
CID 120782841
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
(2S)-2-amino-2-(4-methylcyclohexyl)-N-[4-(oxan-4-yl)phenyl]acetamide;hydrochloride
CID 175699695
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopentylbenzamide
CID 120786530
N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide
CID 120792716
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride
CID 120788869

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride (CID 120785655) is 2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride is CC(C)NC(=O)Nc1ccc(NC(=O)C(N)C2CCOCC2)cc1.Cl.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride?
The InChIKey is QVCYTUNIPYLPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3.ClH/c1-11(2)19-17(23)21-14-5-3-13(4-6-14)20-16(22)15(18)12-7-9-24-10-8-12;/h3-6,11-12,15H,7-10,18H2,1-2H3,(H,20,22)(H2,19,21,23);1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride?
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride has a molecular weight of 370.88 g/mol, XLogP of 2.33, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 120785655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).