N-[[3-(2-methylpropyl)phenyl]methyl]-2-morpholin-4-ylacetamide

C17H26N2O2 — CID 138665807

IUPACN-[[3-(2-methylpropyl)phenyl]methyl]-2-morpholin-4-ylacetamide
SMILESCC(C)Cc1cccc(CNC(=O)CN2CCOCC2)c1
InChIInChI=1S/C17H26N2O2/c1-14(2)10-15-4-3-5-16(11-15)12-18-17(20)13-19-6-8-21-9-7-19/h3-5,11,14H,6-10,12-13H2,1-2H3,(H,18,20)
InChIKeySNRZHYAOQXRMFT-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.83
Rot. Bonds6

About N-[[3-(2-methylpropyl)phenyl]methyl]-2-morpholin-4-ylacetamide

N-[[3-(2-methylpropyl)phenyl]methyl]-2-morpholin-4-ylacetamide (PubChem CID 138665807) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[3-(2-methylpropyl)phenyl]methyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[[3-(2-methylpropyl)phenyl]methyl]-2-morpholin-4-ylacetamide
PubChem CID138665807
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[[3-(2-methylpropyl)phenyl]methyl]-2-morpholin-4-ylacetamide
SMILESCC(C)Cc1cccc(CNC(=O)CN2CCOCC2)c1
InChIInChI=1S/C17H26N2O2/c1-14(2)10-15-4-3-5-16(11-15)12-18-17(20)13-19-6-8-21-9-7-19/h3-5,11,14H,6-10,12-13H2,1-2H3,(H,18,20)
InChIKeySNRZHYAOQXRMFT-UHFFFAOYSA-N
XLogP1.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-morpholin-4-ylacetamide
CID 75499508
3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119847390
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylacetamide
CID 91789465
N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 110687973
N-[(3-hydroxyphenyl)methyl]-3-morpholin-4-ylpropanamide
CID 110483703
N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
CID 118585548
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide
CID 119847367
N-[(3-aminophenyl)methyl]-3-morpholin-4-ylpropanamide
CID 110483704
2-(4-methylphenyl)sulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 133190400
3,4-dimethyl-N-[2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 60571005
N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994751
2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 119847373

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylpropyl)phenyl]methyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[[3-(2-methylpropyl)phenyl]methyl]-2-morpholin-4-ylacetamide (CID 138665807) is N-[[3-(2-methylpropyl)phenyl]methyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[[3-(2-methylpropyl)phenyl]methyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[[3-(2-methylpropyl)phenyl]methyl]-2-morpholin-4-ylacetamide is CC(C)Cc1cccc(CNC(=O)CN2CCOCC2)c1.
What is the InChIKey of N-[[3-(2-methylpropyl)phenyl]methyl]-2-morpholin-4-ylacetamide?
The InChIKey is SNRZHYAOQXRMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(2)10-15-4-3-5-16(11-15)12-18-17(20)13-19-6-8-21-9-7-19/h3-5,11,14H,6-10,12-13H2,1-2H3,(H,18,20).
What are the key properties of N-[[3-(2-methylpropyl)phenyl]methyl]-2-morpholin-4-ylacetamide?
N-[[3-(2-methylpropyl)phenyl]methyl]-2-morpholin-4-ylacetamide has a molecular weight of 290.41 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylpropyl)phenyl]methyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 138665807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).