2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-(oxan-4-yl)acetamide

C19H28N2O4 — CID 120794064

IUPAC2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)Nc1ccc(OC2CCCCC2O)cc1)C1CCOCC1
InChIInChI=1S/C19H28N2O4/c20-18(13-9-11-24-12-10-13)19(23)21-14-5-7-15(8-6-14)25-17-4-2-1-3-16(17)22/h5-8,13,16-18,22H,1-4,9-12,20H2,(H,21,23)
InChIKeyGFKYMHZHUUMQEW-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.06
Rot. Bonds5

About 2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-(oxan-4-yl)acetamide

2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-(oxan-4-yl)acetamide (PubChem CID 120794064) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-(oxan-4-yl)acetamide
PubChem CID120794064
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)Nc1ccc(OC2CCCCC2O)cc1)C1CCOCC1
InChIInChI=1S/C19H28N2O4/c20-18(13-9-11-24-12-10-13)19(23)21-14-5-7-15(8-6-14)25-17-4-2-1-3-16(17)22/h5-8,13,16-18,22H,1-4,9-12,20H2,(H,21,23)
InChIKeyGFKYMHZHUUMQEW-UHFFFAOYSA-N
XLogP2.06
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide
CID 119329344
2-amino-2-(oxan-4-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride
CID 120794059
2-amino-N-[4-(4-ethoxyphenoxy)phenyl]-2-(oxan-4-yl)acetamide
CID 120783556
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide;hydrochloride
CID 120782841
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 120785656
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopentylbenzamide
CID 120786530
2-amino-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(oxan-4-yl)acetamide
CID 120788842
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 120785655
(2R)-2-ethoxy-N-[4-[(1S,2S)-2-hydroxycyclohexyl]oxyphenyl]propanamide
CID 95772065
2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylpropanamide
CID 119329332
N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide
CID 111428793
N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-3-methylbutanamide
CID 120785588

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-(oxan-4-yl)acetamide (CID 120794064) is 2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-(oxan-4-yl)acetamide is NC(C(=O)Nc1ccc(OC2CCCCC2O)cc1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-(oxan-4-yl)acetamide?
The InChIKey is GFKYMHZHUUMQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c20-18(13-9-11-24-12-10-13)19(23)21-14-5-7-15(8-6-14)25-17-4-2-1-3-16(17)22/h5-8,13,16-18,22H,1-4,9-12,20H2,(H,21,23).
What are the key properties of 2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-(oxan-4-yl)acetamide has a molecular weight of 348.44 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120794064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).