2-(2-aminoethyl)-N-[4-(4-methoxyphenyl)phenyl]morpholine-4-carboxamide

C20H25N3O3 — CID 72872596

IUPAC2-(2-aminoethyl)-N-[4-(4-methoxyphenyl)phenyl]morpholine-4-carboxamide
SMILESCOc1ccc(-c2ccc(NC(=O)N3CCOC(CCN)C3)cc2)cc1
InChIInChI=1S/C20H25N3O3/c1-25-18-8-4-16(5-9-18)15-2-6-17(7-3-15)22-20(24)23-12-13-26-19(14-23)10-11-21/h2-9,19H,10-14,21H2,1H3,(H,22,24)
InChIKeyHRVFWMWRIFGYFG-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.94
Rot. Bonds5

About 2-(2-aminoethyl)-N-[4-(4-methoxyphenyl)phenyl]morpholine-4-carboxamide

2-(2-aminoethyl)-N-[4-(4-methoxyphenyl)phenyl]morpholine-4-carboxamide (PubChem CID 72872596) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[4-(4-methoxyphenyl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[4-(4-methoxyphenyl)phenyl]morpholine-4-carboxamide
PubChem CID72872596
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-(2-aminoethyl)-N-[4-(4-methoxyphenyl)phenyl]morpholine-4-carboxamide
SMILESCOc1ccc(-c2ccc(NC(=O)N3CCOC(CCN)C3)cc2)cc1
InChIInChI=1S/C20H25N3O3/c1-25-18-8-4-16(5-9-18)15-2-6-17(7-3-15)22-20(24)23-12-13-26-19(14-23)10-11-21/h2-9,19H,10-14,21H2,1H3,(H,22,24)
InChIKeyHRVFWMWRIFGYFG-UHFFFAOYSA-N
XLogP2.94
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-aminoethyl)-N-[4-(4-methoxyphenyl)phenyl]morpholine-4-carboxamide
CID 97437793
2-(2-methoxyethyl)-N-[4-(4-methylphenyl)phenyl]morpholine-4-carboxamide
CID 118784925
(2S)-2-(2-aminoethyl)-N-[4-(3-chlorophenyl)phenyl]morpholine-4-carboxamide
CID 125164851
1-[2-(2-aminoethyl)morpholin-4-yl]-4-(4-methoxyphenyl)butan-1-one
CID 122569997
2-ethyl-N-(4-methylphenyl)morpholine-4-carboxamide
CID 42884313
methyl 4-[[(2R)-2-ethylmorpholine-4-carbonyl]amino]benzoate
CID 94878692
methyl 4-[[(2S)-2-ethylmorpholine-4-carbonyl]amino]benzoate
CID 95160013
[(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 42252495
2-(2-aminoethyl)-N-[2-(4-fluorophenoxy)phenyl]morpholine-4-carboxamide
CID 74240763
3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 62372910
2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618602
2-[4-[4-[(2S)-2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]phenyl]-N-methylacetamide
CID 126432738

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[4-(4-methoxyphenyl)phenyl]morpholine-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[4-(4-methoxyphenyl)phenyl]morpholine-4-carboxamide (CID 72872596) is 2-(2-aminoethyl)-N-[4-(4-methoxyphenyl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[4-(4-methoxyphenyl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[4-(4-methoxyphenyl)phenyl]morpholine-4-carboxamide is COc1ccc(-c2ccc(NC(=O)N3CCOC(CCN)C3)cc2)cc1.
What is the InChIKey of 2-(2-aminoethyl)-N-[4-(4-methoxyphenyl)phenyl]morpholine-4-carboxamide?
The InChIKey is HRVFWMWRIFGYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-25-18-8-4-16(5-9-18)15-2-6-17(7-3-15)22-20(24)23-12-13-26-19(14-23)10-11-21/h2-9,19H,10-14,21H2,1H3,(H,22,24).
What are the key properties of 2-(2-aminoethyl)-N-[4-(4-methoxyphenyl)phenyl]morpholine-4-carboxamide?
2-(2-aminoethyl)-N-[4-(4-methoxyphenyl)phenyl]morpholine-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[4-(4-methoxyphenyl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 72872596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).