N-[4-[[2-(1-aminoethyl)morpholin-4-yl]methyl]phenyl]acetamide

C15H23N3O2 — CID 115314944

IUPACN-[4-[[2-(1-aminoethyl)morpholin-4-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCOC(C(C)N)C2)cc1
InChIInChI=1S/C15H23N3O2/c1-11(16)15-10-18(7-8-20-15)9-13-3-5-14(6-4-13)17-12(2)19/h3-6,11,15H,7-10,16H2,1-2H3,(H,17,19)
InChIKeyKJARDWBXYKZICQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.19
Rot. Bonds4

About N-[4-[[2-(1-aminoethyl)morpholin-4-yl]methyl]phenyl]acetamide

N-[4-[[2-(1-aminoethyl)morpholin-4-yl]methyl]phenyl]acetamide (PubChem CID 115314944) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[4-[[2-(1-aminoethyl)morpholin-4-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1-aminoethyl)morpholin-4-yl]methyl]phenyl]acetamide
PubChem CID115314944
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[4-[[2-(1-aminoethyl)morpholin-4-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCOC(C(C)N)C2)cc1
InChIInChI=1S/C15H23N3O2/c1-11(16)15-10-18(7-8-20-15)9-13-3-5-14(6-4-13)17-12(2)19/h3-6,11,15H,7-10,16H2,1-2H3,(H,17,19)
InChIKeyKJARDWBXYKZICQ-UHFFFAOYSA-N
XLogP1.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Morpholinomethyl)aniline
CID 776851
(S)-N-[1-(3-morpholin-4-yl-phenyl)-ethyl]-3-phenyl-acrylamide
CID 9949648
1-(1-Propionylpiperidin-4-yl)-3-p-tolylurea
CID 49782799
N-(3,4-dimethylphenyl)-3-morpholin-4-ylpropanamide
CID 740682
Ethyl 1-[3-oxo-3-(4-toluidino)propyl]-4-piperidinecarboxylate
CID 772564
N'-(4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 3107635
4-Morpholineacetamide, N-(2-methylphenyl)-, monohydrochloride
CID 2827840
N-(4-((morpholin-4-yl)methyl)phenyl)acetamide
CID 783020
(2-(Morpholin-4-yl)phenyl)methanamine
CID 2776563
4-(p-Tolyl)morpholine
CID 766255
4-(N-(P-Tolyl)carbamoyl)morpholine
CID 790704
4-Morpholinobenzylamine
CID 2776458

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1-aminoethyl)morpholin-4-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-(1-aminoethyl)morpholin-4-yl]methyl]phenyl]acetamide (CID 115314944) is N-[4-[[2-(1-aminoethyl)morpholin-4-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-(1-aminoethyl)morpholin-4-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-(1-aminoethyl)morpholin-4-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCOC(C(C)N)C2)cc1.
What is the InChIKey of N-[4-[[2-(1-aminoethyl)morpholin-4-yl]methyl]phenyl]acetamide?
The InChIKey is KJARDWBXYKZICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(16)15-10-18(7-8-20-15)9-13-3-5-14(6-4-13)17-12(2)19/h3-6,11,15H,7-10,16H2,1-2H3,(H,17,19).
What are the key properties of N-[4-[[2-(1-aminoethyl)morpholin-4-yl]methyl]phenyl]acetamide?
N-[4-[[2-(1-aminoethyl)morpholin-4-yl]methyl]phenyl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1-aminoethyl)morpholin-4-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 115314944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).