2-[[4-[(3-ethyl-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid

C18H27N3O4 — CID 122089090

IUPAC2-[[4-[(3-ethyl-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCCc1cc(NC(=O)N2CCOC(CN(C)CC(=O)O)C2)ccc1C
InChIInChI=1S/C18H27N3O4/c1-4-14-9-15(6-5-13(14)2)19-18(24)21-7-8-25-16(11-21)10-20(3)12-17(22)23/h5-6,9,16H,4,7-8,10-12H2,1-3H3,(H,19,24)(H,22,23)
InChIKeyNKGNJKMHUZMQEQ-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.81
Rot. Bonds6

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

2-[[4-[(3-ethyl-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 122089090) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[[4-[(3-ethyl-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(3-ethyl-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID122089090
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name2-[[4-[(3-ethyl-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCCc1cc(NC(=O)N2CCOC(CN(C)CC(=O)O)C2)ccc1C
InChIInChI=1S/C18H27N3O4/c1-4-14-9-15(6-5-13(14)2)19-18(24)21-7-8-25-16(11-21)10-20(3)12-17(22)23/h5-6,9,16H,4,7-8,10-12H2,1-3H3,(H,19,24)(H,22,23)
InChIKeyNKGNJKMHUZMQEQ-UHFFFAOYSA-N
XLogP1.81
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[(3,4-diethylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122088781
2-[[4-[(4-ethyl-3-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122088532
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-(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
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-[[(2R)-4-(5,6-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129476430
2-[[4-[2-(2-bromophenyl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 128973419

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3-ethyl-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-[(3-ethyl-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid (CID 122089090) is 2-[[4-[(3-ethyl-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-[(3-ethyl-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-[(3-ethyl-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid is CCc1cc(NC(=O)N2CCOC(CN(C)CC(=O)O)C2)ccc1C.
What is the InChIKey of 2-[[4-[(3-ethyl-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is NKGNJKMHUZMQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-4-14-9-15(6-5-13(14)2)19-18(24)21-7-8-25-16(11-21)10-20(3)12-17(22)23/h5-6,9,16H,4,7-8,10-12H2,1-3H3,(H,19,24)(H,22,23).
What are the key properties of 2-[[4-[(3-ethyl-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-[(3-ethyl-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 349.43 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3-ethyl-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 122089090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).