(2S)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[2-(3-methylphenoxy)ethyl]propanamide

C19H31N3O3 — CID 100843920

IUPAC(2S)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[2-(3-methylphenoxy)ethyl]propanamide
SMILESCc1cccc(OCCNC(=O)[C@H](C)N2CCO[C@@H](CN(C)C)C2)c1
InChIInChI=1S/C19H31N3O3/c1-15-6-5-7-17(12-15)24-10-8-20-19(23)16(2)22-9-11-25-18(14-22)13-21(3)4/h5-7,12,16,18H,8-11,13-14H2,1-4H3,(H,20,23)/t16-,18-/m0/s1
InChIKeyGMGRNXMSJRKWPH-WMZOPIPTSA-N
MW349.48 g/mol
LogP1.14
Rot. Bonds8

About (2S)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[2-(3-methylphenoxy)ethyl]propanamide

(2S)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[2-(3-methylphenoxy)ethyl]propanamide (PubChem CID 100843920) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is (2S)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[2-(3-methylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[2-(3-methylphenoxy)ethyl]propanamide
PubChem CID100843920
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name(2S)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[2-(3-methylphenoxy)ethyl]propanamide
SMILESCc1cccc(OCCNC(=O)[C@H](C)N2CCO[C@@H](CN(C)C)C2)c1
InChIInChI=1S/C19H31N3O3/c1-15-6-5-7-17(12-15)24-10-8-20-19(23)16(2)22-9-11-25-18(14-22)13-21(3)4/h5-7,12,16,18H,8-11,13-14H2,1-4H3,(H,20,23)/t16-,18-/m0/s1
InChIKeyGMGRNXMSJRKWPH-WMZOPIPTSA-N
XLogP1.14
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-1-[1-[2-(3-methylphenoxy)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 60603436
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 120771375
(2S)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 100843135
(2S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95314829
1-[2-(hydroxymethyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-1-one
CID 81208849
N-[2-(3-methylphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119689704
N-[2-(3-methylphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119689703
(2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]propanamide
CID 95329138
1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone
CID 60664116
(2S)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 94453898
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 111750443
2-(3-methylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 46684440

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[2-(3-methylphenoxy)ethyl]propanamide?
The IUPAC name of (2S)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[2-(3-methylphenoxy)ethyl]propanamide (CID 100843920) is (2S)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[2-(3-methylphenoxy)ethyl]propanamide.
What is the SMILES notation for (2S)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[2-(3-methylphenoxy)ethyl]propanamide?
The canonical SMILES for (2S)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[2-(3-methylphenoxy)ethyl]propanamide is Cc1cccc(OCCNC(=O)[C@H](C)N2CCO[C@@H](CN(C)C)C2)c1.
What is the InChIKey of (2S)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[2-(3-methylphenoxy)ethyl]propanamide?
The InChIKey is GMGRNXMSJRKWPH-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-15-6-5-7-17(12-15)24-10-8-20-19(23)16(2)22-9-11-25-18(14-22)13-21(3)4/h5-7,12,16,18H,8-11,13-14H2,1-4H3,(H,20,23)/t16-,18-/m0/s1.
What are the key properties of (2S)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[2-(3-methylphenoxy)ethyl]propanamide?
(2S)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[2-(3-methylphenoxy)ethyl]propanamide has a molecular weight of 349.48 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[2-(3-methylphenoxy)ethyl]propanamide is sourced from PubChem (CID 100843920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).