N-[(4-methylphenyl)methyl]-3-[(2R)-2-(trifluoromethyl)morpholin-4-yl]propanamide

C16H21F3N2O2 — CID 95554541

IUPACN-[(4-methylphenyl)methyl]-3-[(2R)-2-(trifluoromethyl)morpholin-4-yl]propanamide
SMILESCc1ccc(CNC(=O)CCN2CCO[C@@H](C(F)(F)F)C2)cc1
InChIInChI=1S/C16H21F3N2O2/c1-12-2-4-13(5-3-12)10-20-15(22)6-7-21-8-9-23-14(11-21)16(17,18)19/h2-5,14H,6-11H2,1H3,(H,20,22)/t14-/m1/s1
InChIKeyQDCFVUZXIXZOBX-CQSZACIVSA-N
MW330.35 g/mol
LogP2.26
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-3-[(2R)-2-(trifluoromethyl)morpholin-4-yl]propanamide

N-[(4-methylphenyl)methyl]-3-[(2R)-2-(trifluoromethyl)morpholin-4-yl]propanamide (PubChem CID 95554541) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-[(2R)-2-(trifluoromethyl)morpholin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-[(2R)-2-(trifluoromethyl)morpholin-4-yl]propanamide
PubChem CID95554541
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC NameN-[(4-methylphenyl)methyl]-3-[(2R)-2-(trifluoromethyl)morpholin-4-yl]propanamide
SMILESCc1ccc(CNC(=O)CCN2CCO[C@@H](C(F)(F)F)C2)cc1
InChIInChI=1S/C16H21F3N2O2/c1-12-2-4-13(5-3-12)10-20-15(22)6-7-21-8-9-23-14(11-21)16(17,18)19/h2-5,14H,6-11H2,1H3,(H,20,22)/t14-/m1/s1
InChIKeyQDCFVUZXIXZOBX-CQSZACIVSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109019797
2-[2-(aminomethyl)morpholin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 114395245
4-methyl-3-[[[2-[2-(trifluoromethyl)morpholin-4-yl]acetyl]amino]methyl]benzoic acid
CID 56880859
N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109019767
N-[(4-methylphenyl)methyl]-3-[(1S,9S)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-12-yl]propanamide
CID 118794381
N-ethyl-3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propanamide
CID 75502042
N-cyclopropyl-4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]morpholine-2-carboxamide
CID 163352376
3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 50958038
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 109019783
3-[6-hydroxy-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 70779342
N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-4-oxobutanamide
CID 9473849
N-[(4-methylphenyl)methyl]butanamide
CID 835678

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-[(2R)-2-(trifluoromethyl)morpholin-4-yl]propanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-[(2R)-2-(trifluoromethyl)morpholin-4-yl]propanamide (CID 95554541) is N-[(4-methylphenyl)methyl]-3-[(2R)-2-(trifluoromethyl)morpholin-4-yl]propanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-[(2R)-2-(trifluoromethyl)morpholin-4-yl]propanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-[(2R)-2-(trifluoromethyl)morpholin-4-yl]propanamide is Cc1ccc(CNC(=O)CCN2CCO[C@@H](C(F)(F)F)C2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-[(2R)-2-(trifluoromethyl)morpholin-4-yl]propanamide?
The InChIKey is QDCFVUZXIXZOBX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-12-2-4-13(5-3-12)10-20-15(22)6-7-21-8-9-23-14(11-21)16(17,18)19/h2-5,14H,6-11H2,1H3,(H,20,22)/t14-/m1/s1.
What are the key properties of N-[(4-methylphenyl)methyl]-3-[(2R)-2-(trifluoromethyl)morpholin-4-yl]propanamide?
N-[(4-methylphenyl)methyl]-3-[(2R)-2-(trifluoromethyl)morpholin-4-yl]propanamide has a molecular weight of 330.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-[(2R)-2-(trifluoromethyl)morpholin-4-yl]propanamide is sourced from PubChem (CID 95554541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).