N-[4-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide

C19H26N2O3 — CID 97023940

IUPACN-[4-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide
SMILESC[C@H]1CN(C(=O)CCCNC(=O)C2CC2)[C@@H](c2ccccc2)CO1
InChIInChI=1S/C19H26N2O3/c1-14-12-21(17(13-24-14)15-6-3-2-4-7-15)18(22)8-5-11-20-19(23)16-9-10-16/h2-4,6-7,14,16-17H,5,8-13H2,1H3,(H,20,23)/t14-,17+/m0/s1
InChIKeyVWNRLLHMMLPYDD-WMLDXEAASA-N
MW330.43 g/mol
LogP2.28
Rot. Bonds6

About N-[4-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide

N-[4-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide (PubChem CID 97023940) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[4-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide
PubChem CID97023940
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[4-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide
SMILESC[C@H]1CN(C(=O)CCCNC(=O)C2CC2)[C@@H](c2ccccc2)CO1
InChIInChI=1S/C19H26N2O3/c1-14-12-21(17(13-24-14)15-6-3-2-4-7-15)18(22)8-5-11-20-19(23)16-9-10-16/h2-4,6-7,14,16-17H,5,8-13H2,1H3,(H,20,23)/t14-,17+/m0/s1
InChIKeyVWNRLLHMMLPYDD-WMLDXEAASA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]ethanone
CID 124686301
2-cyclopent-2-en-1-yl-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone
CID 71993114
2-(1-hydroxycyclopentyl)-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone
CID 111540812
1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-2-pyrimidin-5-ylethanone
CID 124882003
N-[4-oxo-4-[(4S)-4-phenylazepan-1-yl]butyl]cyclopropanecarboxamide
CID 95174990
N-[4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride
CID 120746354
1-(2-methyl-5-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119804151
(2S)-2-amino-1-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]butan-1-one
CID 124890111
4-methyl-1-[2-[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-2-oxoethyl]pyridin-2-one
CID 124627783
4-methyl-1-[2-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]-2-oxoethyl]pyridin-2-one
CID 124627784
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-phenylmorpholine-4-carboxamide
CID 71925676
N-[4-[(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-4-oxobutyl]cyclopropanecarboxamide
CID 52500706

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide (CID 97023940) is N-[4-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide is C[C@H]1CN(C(=O)CCCNC(=O)C2CC2)[C@@H](c2ccccc2)CO1.
What is the InChIKey of N-[4-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide?
The InChIKey is VWNRLLHMMLPYDD-WMLDXEAASA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14-12-21(17(13-24-14)15-6-3-2-4-7-15)18(22)8-5-11-20-19(23)16-9-10-16/h2-4,6-7,14,16-17H,5,8-13H2,1H3,(H,20,23)/t14-,17+/m0/s1.
What are the key properties of N-[4-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide?
N-[4-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 97023940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).