4-[3-[[3-(aminomethyl)morpholin-4-yl]methyl]-5-hydroxyphenyl]-3-methylbenzamide

C20H25N3O3 — CID 174258423

IUPAC4-[3-[[3-(aminomethyl)morpholin-4-yl]methyl]-5-hydroxyphenyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1-c1cc(O)cc(CN2CCOCC2CN)c1
InChIInChI=1S/C20H25N3O3/c1-13-6-15(20(22)25)2-3-19(13)16-7-14(8-18(24)9-16)11-23-4-5-26-12-17(23)10-21/h2-3,6-9,17,24H,4-5,10-12,21H2,1H3,(H2,22,25)
InChIKeyJTROHGKJBXTKNS-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.63
Rot. Bonds5

About 4-[3-[[3-(aminomethyl)morpholin-4-yl]methyl]-5-hydroxyphenyl]-3-methylbenzamide

4-[3-[[3-(aminomethyl)morpholin-4-yl]methyl]-5-hydroxyphenyl]-3-methylbenzamide (PubChem CID 174258423) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[3-[[3-(aminomethyl)morpholin-4-yl]methyl]-5-hydroxyphenyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[3-[[3-(aminomethyl)morpholin-4-yl]methyl]-5-hydroxyphenyl]-3-methylbenzamide
PubChem CID174258423
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name4-[3-[[3-(aminomethyl)morpholin-4-yl]methyl]-5-hydroxyphenyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1-c1cc(O)cc(CN2CCOCC2CN)c1
InChIInChI=1S/C20H25N3O3/c1-13-6-15(20(22)25)2-3-19(13)16-7-14(8-18(24)9-16)11-23-4-5-26-12-17(23)10-21/h2-3,6-9,17,24H,4-5,10-12,21H2,1H3,(H2,22,25)
InChIKeyJTROHGKJBXTKNS-UHFFFAOYSA-N
XLogP1.63
TPSA101.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-4-[[3-(4-carbamoyl-2-methylphenyl)-5-hydroxyphenyl]methyl]morpholine-3-carboxamide
CID 170764378
4-[3-hydroxy-5-(hydroxymethyl)phenyl]-3-methylbenzamide
CID 170764185
N-[1-[4-[(Z)-C-aminocarbonohydrazonoyl]phenyl]ethyl]formamide;4-[3-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-methylbenzamide
CID 170764322
ethyl 4-[(1S)-1-[[2-[(2R)-1-[[3-(4-carbamoyl-2-methylphenyl)-5-hydroxyphenyl]methyl]pyrrolidin-2-yl]acetyl]amino]ethyl]-2-hydroxybenzoate
CID 170764170
4-[(1S)-1-[[(3R)-4-[[3-(4-carbamoyl-2-hydroxyphenyl)phenyl]methyl]morpholine-3-carbonyl]amino]ethyl]benzoic acid
CID 170764319
[4-[(3,4-dimethoxyphenyl)methyl]morpholin-3-yl]methanamine
CID 83096554
[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methanamine
CID 18933378
[3-(aminomethyl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107673392
[4-(2,3-dihydro-1H-inden-5-ylmethyl)morpholin-3-yl]methanamine
CID 83096056
4-[[3-(hydroxymethyl)morpholin-4-yl]methyl]-3-methylbenzenecarbothioamide
CID 114482048
[4-[(3-chloro-4-fluorophenyl)methyl]morpholin-3-yl]methanamine
CID 103038281
4-[(2-amino-4-carbamoylphenyl)methyl]morpholine-3-carboxamide
CID 83101795

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[3-(aminomethyl)morpholin-4-yl]methyl]-5-hydroxyphenyl]-3-methylbenzamide?
The IUPAC name of 4-[3-[[3-(aminomethyl)morpholin-4-yl]methyl]-5-hydroxyphenyl]-3-methylbenzamide (CID 174258423) is 4-[3-[[3-(aminomethyl)morpholin-4-yl]methyl]-5-hydroxyphenyl]-3-methylbenzamide.
What is the SMILES notation for 4-[3-[[3-(aminomethyl)morpholin-4-yl]methyl]-5-hydroxyphenyl]-3-methylbenzamide?
The canonical SMILES for 4-[3-[[3-(aminomethyl)morpholin-4-yl]methyl]-5-hydroxyphenyl]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1-c1cc(O)cc(CN2CCOCC2CN)c1.
What is the InChIKey of 4-[3-[[3-(aminomethyl)morpholin-4-yl]methyl]-5-hydroxyphenyl]-3-methylbenzamide?
The InChIKey is JTROHGKJBXTKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13-6-15(20(22)25)2-3-19(13)16-7-14(8-18(24)9-16)11-23-4-5-26-12-17(23)10-21/h2-3,6-9,17,24H,4-5,10-12,21H2,1H3,(H2,22,25).
What are the key properties of 4-[3-[[3-(aminomethyl)morpholin-4-yl]methyl]-5-hydroxyphenyl]-3-methylbenzamide?
4-[3-[[3-(aminomethyl)morpholin-4-yl]methyl]-5-hydroxyphenyl]-3-methylbenzamide has a molecular weight of 355.44 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[3-(aminomethyl)morpholin-4-yl]methyl]-5-hydroxyphenyl]-3-methylbenzamide is sourced from PubChem (CID 174258423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).