2-amino-2-(oxan-4-yl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide

C19H28N4O4 — CID 120785442

IUPAC2-amino-2-(oxan-4-yl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide
SMILESNC(C(=O)Nc1ccc(NC(=O)NCC2CCCO2)cc1)C1CCOCC1
InChIInChI=1S/C19H28N4O4/c20-17(13-7-10-26-11-8-13)18(24)22-14-3-5-15(6-4-14)23-19(25)21-12-16-2-1-9-27-16/h3-6,13,16-17H,1-2,7-12,20H2,(H,22,24)(H2,21,23,25)
InChIKeyOEKUFIJUZGMNRV-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.68
Rot. Bonds6

About 2-amino-2-(oxan-4-yl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide

2-amino-2-(oxan-4-yl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide (PubChem CID 120785442) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide
PubChem CID120785442
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name2-amino-2-(oxan-4-yl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide
SMILESNC(C(=O)Nc1ccc(NC(=O)NCC2CCCO2)cc1)C1CCOCC1
InChIInChI=1S/C19H28N4O4/c20-17(13-7-10-26-11-8-13)18(24)22-14-3-5-15(6-4-14)23-19(25)21-12-16-2-1-9-27-16/h3-6,13,16-17H,1-2,7-12,20H2,(H,22,24)(H2,21,23,25)
InChIKeyOEKUFIJUZGMNRV-UHFFFAOYSA-N
XLogP1.68
TPSA114.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800997
2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 119701973
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 120785656
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 120785655
(2R)-2-ethoxy-N-[4-[[(2R)-oxolan-2-yl]methylcarbamoylamino]phenyl]butanamide
CID 94666909
4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180641
4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 55527587
1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 134039404
1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 108875185
1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea
CID 94427132
5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide
CID 46537419
2-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974690

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide (CID 120785442) is 2-amino-2-(oxan-4-yl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide is NC(C(=O)Nc1ccc(NC(=O)NCC2CCCO2)cc1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide?
The InChIKey is OEKUFIJUZGMNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c20-17(13-7-10-26-11-8-13)18(24)22-14-3-5-15(6-4-14)23-19(25)21-12-16-2-1-9-27-16/h3-6,13,16-17H,1-2,7-12,20H2,(H,22,24)(H2,21,23,25).
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide?
2-amino-2-(oxan-4-yl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide has a molecular weight of 376.46 g/mol, XLogP of 1.68, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 120785442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).