2-[[4-[(3,4-diethylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid

C19H29N3O4 — CID 122088781

IUPAC2-[[4-[(3,4-diethylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCCc1ccc(NC(=O)N2CCOC(CN(C)CC(=O)O)C2)cc1CC
InChIInChI=1S/C19H29N3O4/c1-4-14-6-7-16(10-15(14)5-2)20-19(25)22-8-9-26-17(12-22)11-21(3)13-18(23)24/h6-7,10,17H,4-5,8-9,11-13H2,1-3H3,(H,20,25)(H,23,24)
InChIKeyGPIOYBRNXCGDIS-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.06
Rot. Bonds7

About 2-[[4-[(3,4-diethylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid

2-[[4-[(3,4-diethylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 122088781) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[[4-[(3,4-diethylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(3,4-diethylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID122088781
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name2-[[4-[(3,4-diethylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCCc1ccc(NC(=O)N2CCOC(CN(C)CC(=O)O)C2)cc1CC
InChIInChI=1S/C19H29N3O4/c1-4-14-6-7-16(10-15(14)5-2)20-19(25)22-8-9-26-17(12-22)11-21(3)13-18(23)24/h6-7,10,17H,4-5,8-9,11-13H2,1-3H3,(H,20,25)(H,23,24)
InChIKeyGPIOYBRNXCGDIS-UHFFFAOYSA-N
XLogP2.06
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[(3,4-diethylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid with MolForge

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Related Compounds

2-[[4-[(4-ethyl-3-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122088532
2-[[4-[(3-ethyl-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122089090
2-[[4-[(3-chloro-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122073549
2-[[4-[(2,3-dimethyl-1-benzofuran-5-yl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122090249
2-[[4-[(3-chloro-4-propan-2-yloxyphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122075883
2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-(2-methyl-4-pyridinyl)morpholine-4-carboxamide
CID 167933180
2-[[4-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122005568
2-[[4-[2-(4-ethylphenyl)-2-methylpropanoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 120606955
2-[[4-[2-(2-bromophenyl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 128973419
2-[[4-[2-(2-fluorophenyl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 128966246
2-[[4-[2-(2,3-dihydro-1H-inden-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122007892
(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-N-(2-methyl-4-pyridinyl)morpholine-4-carboxamide
CID 129343856

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3,4-diethylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-[(3,4-diethylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid (CID 122088781) is 2-[[4-[(3,4-diethylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-[(3,4-diethylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-[(3,4-diethylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid is CCc1ccc(NC(=O)N2CCOC(CN(C)CC(=O)O)C2)cc1CC.
What is the InChIKey of 2-[[4-[(3,4-diethylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is GPIOYBRNXCGDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-4-14-6-7-16(10-15(14)5-2)20-19(25)22-8-9-26-17(12-22)11-21(3)13-18(23)24/h6-7,10,17H,4-5,8-9,11-13H2,1-3H3,(H,20,25)(H,23,24).
What are the key properties of 2-[[4-[(3,4-diethylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-[(3,4-diethylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 363.46 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3,4-diethylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 122088781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).