[4-[butyl(methyl)amino]phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone

C17H26N2O3 — CID 126830084

IUPAC[4-[butyl(methyl)amino]phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCCCCN(C)c1ccc(C(=O)N2CCOCC2CO)cc1
InChIInChI=1S/C17H26N2O3/c1-3-4-9-18(2)15-7-5-14(6-8-15)17(21)19-10-11-22-13-16(19)12-20/h5-8,16,20H,3-4,9-13H2,1-2H3
InChIKeyQWUNQEKSMHCMRS-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.76
Rot. Bonds6

About [4-[butyl(methyl)amino]phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone

[4-[butyl(methyl)amino]phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 126830084) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is [4-[butyl(methyl)amino]phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[4-[butyl(methyl)amino]phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID126830084
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name[4-[butyl(methyl)amino]phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCCCCN(C)c1ccc(C(=O)N2CCOCC2CO)cc1
InChIInChI=1S/C17H26N2O3/c1-3-4-9-18(2)15-7-5-14(6-8-15)17(21)19-10-11-22-13-16(19)12-20/h5-8,16,20H,3-4,9-13H2,1-2H3
InChIKeyQWUNQEKSMHCMRS-UHFFFAOYSA-N
XLogP1.76
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
CID 118953500
4-[(3S)-3-(hydroxymethyl)morpholine-4-carbonyl]benzonitrile
CID 97040212
(4-aminopiperidin-1-yl)-[4-[butyl(methyl)amino]phenyl]methanone;dihydrochloride
CID 119374740
[3-(hydroxymethyl)morpholin-4-yl]-[4-(2-methylquinolin-6-yl)phenyl]methanone
CID 118781048
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 84581547
2-[1-[4-[butyl(methyl)amino]benzoyl]piperidin-4-yl]-2-fluoroacetamide
CID 126830333
[3-(hydroxymethyl)morpholin-4-yl]-thiophen-3-ylmethanone
CID 71785831
[4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone
CID 43611605
3-amino-N-[[1-[4-[butyl(methyl)amino]benzoyl]piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120578968
[3-(hydroxymethyl)morpholin-4-yl]-(1H-indol-6-yl)methanone
CID 112531994
4-[(3S)-3-(2-methylpropyl)morpholine-4-carbonyl]benzoic acid
CID 124681978
[3,5-bis(trifluoromethyl)phenyl]-[(3S)-3-(hydroxymethyl)morpholin-4-yl]methanone
CID 97040164

Frequently Asked Questions

What is the IUPAC name of [4-[butyl(methyl)amino]phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of [4-[butyl(methyl)amino]phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone (CID 126830084) is [4-[butyl(methyl)amino]phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [4-[butyl(methyl)amino]phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for [4-[butyl(methyl)amino]phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone is CCCCN(C)c1ccc(C(=O)N2CCOCC2CO)cc1.
What is the InChIKey of [4-[butyl(methyl)amino]phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is QWUNQEKSMHCMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-3-4-9-18(2)15-7-5-14(6-8-15)17(21)19-10-11-22-13-16(19)12-20/h5-8,16,20H,3-4,9-13H2,1-2H3.
What are the key properties of [4-[butyl(methyl)amino]phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone?
[4-[butyl(methyl)amino]phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 306.41 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[butyl(methyl)amino]phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 126830084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).