N-carbamoyl-3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanamide

C15H20ClN3O3 — CID 95621900

IUPACN-carbamoyl-3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanamide
SMILESC[C@@H]1CO[C@@H](c2ccccc2Cl)CN1CCC(=O)NC(N)=O
InChIInChI=1S/C15H20ClN3O3/c1-10-9-22-13(11-4-2-3-5-12(11)16)8-19(10)7-6-14(20)18-15(17)21/h2-5,10,13H,6-9H2,1H3,(H3,17,18,20,21)/t10-,13-/m1/s1
InChIKeyDEVNSURYLOBNKC-ZWNOBZJWSA-N
MW325.80 g/mol
LogP1.69
Rot. Bonds4

About N-carbamoyl-3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanamide

N-carbamoyl-3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanamide (PubChem CID 95621900) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is N-carbamoyl-3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanamide
PubChem CID95621900
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC NameN-carbamoyl-3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanamide
SMILESC[C@@H]1CO[C@@H](c2ccccc2Cl)CN1CCC(=O)NC(N)=O
InChIInChI=1S/C15H20ClN3O3/c1-10-9-22-13(11-4-2-3-5-12(11)16)8-19(10)7-6-14(20)18-15(17)21/h2-5,10,13H,6-9H2,1H3,(H3,17,18,20,21)/t10-,13-/m1/s1
InChIKeyDEVNSURYLOBNKC-ZWNOBZJWSA-N
XLogP1.69
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid
CID 97094799
3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid
CID 97094798
2-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]acetic acid;hydrochloride
CID 71930920
4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-methylbutan-2-ol
CID 97319822
1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-(methylamino)butan-1-one
CID 119784334
(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carboxamide
CID 146049310
4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one
CID 119324084
1-[(2S,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
CID 124686478
(2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one
CID 154740422
1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 111538497
(2S,5R)-2-(2-chlorophenyl)-5-methyl-4-[(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)methyl]morpholine
CID 99792277
3-(5-methyl-2-phenylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981473

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanamide?
The IUPAC name of N-carbamoyl-3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanamide (CID 95621900) is N-carbamoyl-3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanamide.
What is the SMILES notation for N-carbamoyl-3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanamide?
The canonical SMILES for N-carbamoyl-3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanamide is C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1CCC(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanamide?
The InChIKey is DEVNSURYLOBNKC-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c1-10-9-22-13(11-4-2-3-5-12(11)16)8-19(10)7-6-14(20)18-15(17)21/h2-5,10,13H,6-9H2,1H3,(H3,17,18,20,21)/t10-,13-/m1/s1.
What are the key properties of N-carbamoyl-3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanamide?
N-carbamoyl-3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanamide has a molecular weight of 325.80 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanamide is sourced from PubChem (CID 95621900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).