(2R,4S)-N-benzyl-4-(morpholine-4-carbonyl)-1-prop-2-enoylazetidine-2-carboxamide

C19H23N3O4 — CID 146072739

IUPAC(2R,4S)-N-benzyl-4-(morpholine-4-carbonyl)-1-prop-2-enoylazetidine-2-carboxamide
SMILESC=CC(=O)N1[C@@H](C(=O)NCc2ccccc2)C[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C19H23N3O4/c1-2-17(23)22-15(18(24)20-13-14-6-4-3-5-7-14)12-16(22)19(25)21-8-10-26-11-9-21/h2-7,15-16H,1,8-13H2,(H,20,24)/t15-,16+/m1/s1
InChIKeyMSMRPQMQAOFBPY-CVEARBPZSA-N
MW357.41 g/mol
LogP0.32
Rot. Bonds5

About (2R,4S)-N-benzyl-4-(morpholine-4-carbonyl)-1-prop-2-enoylazetidine-2-carboxamide

(2R,4S)-N-benzyl-4-(morpholine-4-carbonyl)-1-prop-2-enoylazetidine-2-carboxamide (PubChem CID 146072739) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2R,4S)-N-benzyl-4-(morpholine-4-carbonyl)-1-prop-2-enoylazetidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-benzyl-4-(morpholine-4-carbonyl)-1-prop-2-enoylazetidine-2-carboxamide
PubChem CID146072739
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name(2R,4S)-N-benzyl-4-(morpholine-4-carbonyl)-1-prop-2-enoylazetidine-2-carboxamide
SMILESC=CC(=O)N1[C@@H](C(=O)NCc2ccccc2)C[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C19H23N3O4/c1-2-17(23)22-15(18(24)20-13-14-6-4-3-5-7-14)12-16(22)19(25)21-8-10-26-11-9-21/h2-7,15-16H,1,8-13H2,(H,20,24)/t15-,16+/m1/s1
InChIKeyMSMRPQMQAOFBPY-CVEARBPZSA-N
XLogP0.32
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-benzyl-1-prop-2-enoylpyrrolidine-3-carboxamide
CID 170709592
(2S)-N-benzyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxamide
CID 110286160
(3R)-N,4-dibenzylmorpholine-3-carboxamide
CID 143132848
N-benzyl-5-(morpholine-4-carbonyl)-2-phenylpiperidine-1-carboxamide
CID 42849581
N-benzyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 78808264
(5S)-1-benzyl-5-(morpholine-4-carbonyl)pyrrolidine-2-carbaldehyde
CID 174775048
2-(benzylamino)-1-morpholin-4-ylethanone
CID 23252432
1-benzyl-3-morpholin-4-ylurea
CID 107653208
[(1S,2R,3S)-2-(hydroxymethyl)-3-phenylcyclopropyl]-morpholin-4-ylmethanone
CID 23256387
4-benzyl-N-ethyl-2-(morpholine-4-carbonyl)piperazine-1-carboxamide
CID 24730515
1-benzyl-3-[(Z)-2-cyano-1-morpholin-4-ylethenyl]urea
CID 134915010
N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
CID 118585548

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-benzyl-4-(morpholine-4-carbonyl)-1-prop-2-enoylazetidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-benzyl-4-(morpholine-4-carbonyl)-1-prop-2-enoylazetidine-2-carboxamide (CID 146072739) is (2R,4S)-N-benzyl-4-(morpholine-4-carbonyl)-1-prop-2-enoylazetidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-benzyl-4-(morpholine-4-carbonyl)-1-prop-2-enoylazetidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-benzyl-4-(morpholine-4-carbonyl)-1-prop-2-enoylazetidine-2-carboxamide is C=CC(=O)N1[C@@H](C(=O)NCc2ccccc2)C[C@H]1C(=O)N1CCOCC1.
What is the InChIKey of (2R,4S)-N-benzyl-4-(morpholine-4-carbonyl)-1-prop-2-enoylazetidine-2-carboxamide?
The InChIKey is MSMRPQMQAOFBPY-CVEARBPZSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-2-17(23)22-15(18(24)20-13-14-6-4-3-5-7-14)12-16(22)19(25)21-8-10-26-11-9-21/h2-7,15-16H,1,8-13H2,(H,20,24)/t15-,16+/m1/s1.
What are the key properties of (2R,4S)-N-benzyl-4-(morpholine-4-carbonyl)-1-prop-2-enoylazetidine-2-carboxamide?
(2R,4S)-N-benzyl-4-(morpholine-4-carbonyl)-1-prop-2-enoylazetidine-2-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-benzyl-4-(morpholine-4-carbonyl)-1-prop-2-enoylazetidine-2-carboxamide is sourced from PubChem (CID 146072739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).