N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide

C20H31N3O2 — CID 95348606

IUPACN-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
SMILESCc1ccc([C@H](NC(=O)CN2CCO[C@H](CN(C)C)C2)C2CC2)cc1
InChIInChI=1S/C20H31N3O2/c1-15-4-6-16(7-5-15)20(17-8-9-17)21-19(24)14-23-10-11-25-18(13-23)12-22(2)3/h4-7,17-18,20H,8-14H2,1-3H3,(H,21,24)/t18-,20+/m1/s1
InChIKeyVUPNUXHCRMMSDN-QUCCMNQESA-N
MW345.49 g/mol
LogP1.82
Rot. Bonds7

About N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide

N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide (PubChem CID 95348606) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
PubChem CID95348606
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
SMILESCc1ccc([C@H](NC(=O)CN2CCO[C@H](CN(C)C)C2)C2CC2)cc1
InChIInChI=1S/C20H31N3O2/c1-15-4-6-16(7-5-15)20(17-8-9-17)21-19(24)14-23-10-11-25-18(13-23)12-22(2)3/h4-7,17-18,20H,8-14H2,1-3H3,(H,21,24)/t18-,20+/m1/s1
InChIKeyVUPNUXHCRMMSDN-QUCCMNQESA-N
XLogP1.82
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
CID 95332208
2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 46526961
N-[cyclopropyl-(4-methylphenyl)methyl]-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide
CID 55830599
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
CID 95611859
2-(4-cyclohexyloxypiperidin-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 86873908
N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
CID 95289306
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 46558763
N-[cyclopropyl-(4-methylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 55524481
2-[3-[(3aR,6aS)-2-oxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-3-yl]pyrrolidin-1-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 167969620
N-[1-(4-fluorophenyl)ethyl]-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79834633
N-(2,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79833810
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
CID 95345333

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide?
The IUPAC name of N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide (CID 95348606) is N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide.
What is the SMILES notation for N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide?
The canonical SMILES for N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide is Cc1ccc([C@H](NC(=O)CN2CCO[C@H](CN(C)C)C2)C2CC2)cc1.
What is the InChIKey of N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide?
The InChIKey is VUPNUXHCRMMSDN-QUCCMNQESA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15-4-6-16(7-5-15)20(17-8-9-17)21-19(24)14-23-10-11-25-18(13-23)12-22(2)3/h4-7,17-18,20H,8-14H2,1-3H3,(H,21,24)/t18-,20+/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide?
N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide has a molecular weight of 345.49 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide is sourced from PubChem (CID 95348606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).