N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-phenoxybutanamide

C17H26N2O3 — CID 110741577

IUPACN-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-phenoxybutanamide
SMILESCN1CCOC(CN(C)C(=O)CCCOc2ccccc2)C1
InChIInChI=1S/C17H26N2O3/c1-18-10-12-22-16(13-18)14-19(2)17(20)9-6-11-21-15-7-4-3-5-8-15/h3-5,7-8,16H,6,9-14H2,1-2H3
InChIKeyHNLNPDLSJVAMJV-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.63
Rot. Bonds7

About N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-phenoxybutanamide

N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-phenoxybutanamide (PubChem CID 110741577) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-phenoxybutanamide
PubChem CID110741577
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-phenoxybutanamide
SMILESCN1CCOC(CN(C)C(=O)CCCOc2ccccc2)C1
InChIInChI=1S/C17H26N2O3/c1-18-10-12-22-16(13-18)14-19(2)17(20)9-6-11-21-15-7-4-3-5-8-15/h3-5,7-8,16H,6,9-14H2,1-2H3
InChIKeyHNLNPDLSJVAMJV-UHFFFAOYSA-N
XLogP1.63
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]propanamide
CID 110710544
benzyl N-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamate
CID 110710538
2-[methyl-[[(2R)-4-(4-phenoxybutanoyl)morpholin-2-yl]methyl]amino]acetic acid
CID 129473594
2-fluoro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710492
N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(3-methylphenyl)acetamide
CID 110710559
2-(3-chlorophenyl)-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 110710564
2-[N-[(4-methylmorpholin-2-yl)methyl]anilino]acetic acid
CID 79182777
N-methyl-2-(2-methylmorpholin-4-yl)-N-(3-phenoxypropyl)acetamide
CID 60507580
2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(3-phenoxypropyl)guanidine
CID 111417555
3,4,5-trimethoxy-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710510
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(4-methylsulfonylphenoxy)-N-[3-(4-methylsulfonylphenoxy)propyl]propan-1-amine
CID 98358896
3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid
CID 79166366

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-phenoxybutanamide?
The IUPAC name of N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-phenoxybutanamide (CID 110741577) is N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-phenoxybutanamide.
What is the SMILES notation for N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-phenoxybutanamide?
The canonical SMILES for N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-phenoxybutanamide is CN1CCOC(CN(C)C(=O)CCCOc2ccccc2)C1.
What is the InChIKey of N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-phenoxybutanamide?
The InChIKey is HNLNPDLSJVAMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-18-10-12-22-16(13-18)14-19(2)17(20)9-6-11-21-15-7-4-3-5-8-15/h3-5,7-8,16H,6,9-14H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-phenoxybutanamide?
N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-phenoxybutanamide has a molecular weight of 306.41 g/mol, XLogP of 1.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-phenoxybutanamide is sourced from PubChem (CID 110741577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).