(2R)-2-(dimethylamino)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-phenylpropanamide

C18H27N3O3 — CID 95302963

IUPAC(2R)-2-(dimethylamino)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-phenylpropanamide
SMILESC[C@H](NC(=O)[C@@H](Cc1ccccc1)N(C)C)C(=O)N1CCOCC1
InChIInChI=1S/C18H27N3O3/c1-14(18(23)21-9-11-24-12-10-21)19-17(22)16(20(2)3)13-15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3,(H,19,22)/t14-,16+/m0/s1
InChIKeyQWDMMQKLXTVZBT-GOEBONIOSA-N
MW333.43 g/mol
LogP0.52
Rot. Bonds6

About (2R)-2-(dimethylamino)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-phenylpropanamide

(2R)-2-(dimethylamino)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-phenylpropanamide (PubChem CID 95302963) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-phenylpropanamide
PubChem CID95302963
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(2R)-2-(dimethylamino)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-phenylpropanamide
SMILESC[C@H](NC(=O)[C@@H](Cc1ccccc1)N(C)C)C(=O)N1CCOCC1
InChIInChI=1S/C18H27N3O3/c1-14(18(23)21-9-11-24-12-10-21)19-17(22)16(20(2)3)13-15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3,(H,19,22)/t14-,16+/m0/s1
InChIKeyQWDMMQKLXTVZBT-GOEBONIOSA-N
XLogP0.52
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(2S)-1-oxo-1-[16-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-2-yl]carbamate
CID 13291357
(2S)-2-[[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid
CID 15172733
(2S)-2-[[2-[acetyl(methyl)amino]-3-phenylpropanoyl]amino]-4-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pentanamide
CID 122466781
N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 110347212
2-anilino-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide
CID 115673259
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylmethanesulfonamide
CID 51087827
[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium
CID 40562536
(2S)-2-[[methyl-[2-[methyl(morpholine-4-carbonyl)amino]ethyl]carbamoyl]amino]-3-phenylpropanoic acid
CID 14996791
3-amino-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-phenylpropanamide
CID 119950805
[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]-(pyridin-4-ylmethyl)carbamic acid;hydrochloride
CID 66988562
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
CID 67759315
(2S)-2-[methyl-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamoyl]oxy-3-phenylpropanoic acid
CID 18638877

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-phenylpropanamide?
The IUPAC name of (2R)-2-(dimethylamino)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-phenylpropanamide (CID 95302963) is (2R)-2-(dimethylamino)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-(dimethylamino)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-(dimethylamino)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-phenylpropanamide is C[C@H](NC(=O)[C@@H](Cc1ccccc1)N(C)C)C(=O)N1CCOCC1.
What is the InChIKey of (2R)-2-(dimethylamino)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-phenylpropanamide?
The InChIKey is QWDMMQKLXTVZBT-GOEBONIOSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-14(18(23)21-9-11-24-12-10-21)19-17(22)16(20(2)3)13-15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3,(H,19,22)/t14-,16+/m0/s1.
What are the key properties of (2R)-2-(dimethylamino)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-phenylpropanamide?
(2R)-2-(dimethylamino)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-phenylpropanamide has a molecular weight of 333.43 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 95302963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).