(3R)-3-[[2-(4-ethylphenoxy)acetyl]amino]-3-(oxan-4-yl)propanamide

C18H26N2O4 — CID 95787110

IUPAC(3R)-3-[[2-(4-ethylphenoxy)acetyl]amino]-3-(oxan-4-yl)propanamide
SMILESCCc1ccc(OCC(=O)N[C@H](CC(N)=O)C2CCOCC2)cc1
InChIInChI=1S/C18H26N2O4/c1-2-13-3-5-15(6-4-13)24-12-18(22)20-16(11-17(19)21)14-7-9-23-10-8-14/h3-6,14,16H,2,7-12H2,1H3,(H2,19,21)(H,20,22)/t16-/m1/s1
InChIKeyTXQXACZQODBDEF-MRXNPFEDSA-N
MW334.42 g/mol
LogP1.41
Rot. Bonds8

About (3R)-3-[[2-(4-ethylphenoxy)acetyl]amino]-3-(oxan-4-yl)propanamide

(3R)-3-[[2-(4-ethylphenoxy)acetyl]amino]-3-(oxan-4-yl)propanamide (PubChem CID 95787110) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is (3R)-3-[[2-(4-ethylphenoxy)acetyl]amino]-3-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name(3R)-3-[[2-(4-ethylphenoxy)acetyl]amino]-3-(oxan-4-yl)propanamide
PubChem CID95787110
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name(3R)-3-[[2-(4-ethylphenoxy)acetyl]amino]-3-(oxan-4-yl)propanamide
SMILESCCc1ccc(OCC(=O)N[C@H](CC(N)=O)C2CCOCC2)cc1
InChIInChI=1S/C18H26N2O4/c1-2-13-3-5-15(6-4-13)24-12-18(22)20-16(11-17(19)21)14-7-9-23-10-8-14/h3-6,14,16H,2,7-12H2,1H3,(H2,19,21)(H,20,22)/t16-/m1/s1
InChIKeyTXQXACZQODBDEF-MRXNPFEDSA-N
XLogP1.41
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-amino-2-[[2-(4-ethylphenoxy)acetyl]amino]-4-oxobutanoic acid
CID 107821449
2-[4-[[1-(oxolan-3-yl)ethylamino]methyl]phenoxy]acetamide
CID 115655301
2-(4-ethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94124569
N-(2-amino-1-cyclohexylethyl)-2-(4-ethoxyphenoxy)acetamide
CID 119590687
2-(4-ethylphenoxy)-N-methoxyacetamide
CID 60716979
2-[4-(1-cyclopropylpropylamino)phenoxy]acetamide
CID 64918188
5-[[3-amino-1-(oxan-4-yl)-3-oxopropyl]carbamoyl]thiophene-2-carboxylic acid
CID 119187224
2-(4-ethylphenoxy)-N-(2-methylpropyl)acetamide
CID 1120997
2-(4-ethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449273
3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-3-(oxan-4-yl)propanamide
CID 126775870
N-[2-(aminomethyl)cyclopentyl]-2-(4-ethylphenoxy)acetamide
CID 119601137
N-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]propanamide
CID 47112875

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[2-(4-ethylphenoxy)acetyl]amino]-3-(oxan-4-yl)propanamide?
The IUPAC name of (3R)-3-[[2-(4-ethylphenoxy)acetyl]amino]-3-(oxan-4-yl)propanamide (CID 95787110) is (3R)-3-[[2-(4-ethylphenoxy)acetyl]amino]-3-(oxan-4-yl)propanamide.
What is the SMILES notation for (3R)-3-[[2-(4-ethylphenoxy)acetyl]amino]-3-(oxan-4-yl)propanamide?
The canonical SMILES for (3R)-3-[[2-(4-ethylphenoxy)acetyl]amino]-3-(oxan-4-yl)propanamide is CCc1ccc(OCC(=O)N[C@H](CC(N)=O)C2CCOCC2)cc1.
What is the InChIKey of (3R)-3-[[2-(4-ethylphenoxy)acetyl]amino]-3-(oxan-4-yl)propanamide?
The InChIKey is TXQXACZQODBDEF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-2-13-3-5-15(6-4-13)24-12-18(22)20-16(11-17(19)21)14-7-9-23-10-8-14/h3-6,14,16H,2,7-12H2,1H3,(H2,19,21)(H,20,22)/t16-/m1/s1.
What are the key properties of (3R)-3-[[2-(4-ethylphenoxy)acetyl]amino]-3-(oxan-4-yl)propanamide?
(3R)-3-[[2-(4-ethylphenoxy)acetyl]amino]-3-(oxan-4-yl)propanamide has a molecular weight of 334.42 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[2-(4-ethylphenoxy)acetyl]amino]-3-(oxan-4-yl)propanamide is sourced from PubChem (CID 95787110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).