N-(2-cyanoethyl)-4-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-4-oxo-N-phenylbutanamide

C19H25N3O3 — CID 95323109

IUPACN-(2-cyanoethyl)-4-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-4-oxo-N-phenylbutanamide
SMILESC[C@@H]1CN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)[C@H](C)CO1
InChIInChI=1S/C19H25N3O3/c1-15-14-25-16(2)13-22(15)19(24)10-9-18(23)21(12-6-11-20)17-7-4-3-5-8-17/h3-5,7-8,15-16H,6,9-10,12-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyOPNCEUDXDAQRNO-HZPDHXFCSA-N
MW343.43 g/mol
LogP2.35
Rot. Bonds6

About N-(2-cyanoethyl)-4-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-4-oxo-N-phenylbutanamide

N-(2-cyanoethyl)-4-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-4-oxo-N-phenylbutanamide (PubChem CID 95323109) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(2-cyanoethyl)-4-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-4-oxo-N-phenylbutanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-4-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-4-oxo-N-phenylbutanamide
PubChem CID95323109
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-(2-cyanoethyl)-4-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-4-oxo-N-phenylbutanamide
SMILESC[C@@H]1CN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)[C@H](C)CO1
InChIInChI=1S/C19H25N3O3/c1-15-14-25-16(2)13-22(15)19(24)10-9-18(23)21(12-6-11-20)17-7-4-3-5-8-17/h3-5,7-8,15-16H,6,9-10,12-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyOPNCEUDXDAQRNO-HZPDHXFCSA-N
XLogP2.35
TPSA73.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-4-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-4-oxo-N-phenylbutanamide?
The IUPAC name of N-(2-cyanoethyl)-4-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-4-oxo-N-phenylbutanamide (CID 95323109) is N-(2-cyanoethyl)-4-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-4-oxo-N-phenylbutanamide.
What is the SMILES notation for N-(2-cyanoethyl)-4-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-4-oxo-N-phenylbutanamide?
The canonical SMILES for N-(2-cyanoethyl)-4-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-4-oxo-N-phenylbutanamide is C[C@@H]1CN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)[C@H](C)CO1.
What is the InChIKey of N-(2-cyanoethyl)-4-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-4-oxo-N-phenylbutanamide?
The InChIKey is OPNCEUDXDAQRNO-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-15-14-25-16(2)13-22(15)19(24)10-9-18(23)21(12-6-11-20)17-7-4-3-5-8-17/h3-5,7-8,15-16H,6,9-10,12-14H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of N-(2-cyanoethyl)-4-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-4-oxo-N-phenylbutanamide?
N-(2-cyanoethyl)-4-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-4-oxo-N-phenylbutanamide has a molecular weight of 343.43 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-4-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-4-oxo-N-phenylbutanamide is sourced from PubChem (CID 95323109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).