(3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylmorpholine-4-carboxamide

C18H25N3O3 — CID 94110131

IUPAC(3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylmorpholine-4-carboxamide
SMILESC[C@@H]1COCCN1C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H25N3O3/c1-12-11-24-10-9-21(12)18(23)19-13(2)14-5-7-16(8-6-14)20-17(22)15-3-4-15/h5-8,12-13,15H,3-4,9-11H2,1-2H3,(H,19,23)(H,20,22)/t12-,13-/m1/s1
InChIKeyAULWBESYHHTOEK-CHWSQXEVSA-N
MW331.42 g/mol
LogP2.53
Rot. Bonds4

About (3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylmorpholine-4-carboxamide

(3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylmorpholine-4-carboxamide (PubChem CID 94110131) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylmorpholine-4-carboxamide
PubChem CID94110131
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylmorpholine-4-carboxamide
SMILESC[C@@H]1COCCN1C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H25N3O3/c1-12-11-24-10-9-21(12)18(23)19-13(2)14-5-7-16(8-6-14)20-17(22)15-3-4-15/h5-8,12-13,15H,3-4,9-11H2,1-2H3,(H,19,23)(H,20,22)/t12-,13-/m1/s1
InChIKeyAULWBESYHHTOEK-CHWSQXEVSA-N
XLogP2.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylmorpholine-4-carboxamide
CID 71940598
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]cyclopentanecarboxamide
CID 110604977
N-[4-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 47025310
3-methyl-N-(1-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 51083633
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
3-methyl-N-phenylmorpholine-4-carboxamide
CID 47166676
(3R)-3-methyl-N-phenylmorpholine-4-carboxamide
CID 38887206
(3S)-3-methyl-N-phenylmorpholine-4-carboxamide
CID 38887208
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119288587
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]cyclohexanecarboxamide
CID 110352360

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylmorpholine-4-carboxamide?
The IUPAC name of (3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylmorpholine-4-carboxamide (CID 94110131) is (3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylmorpholine-4-carboxamide.
What is the SMILES notation for (3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylmorpholine-4-carboxamide?
The canonical SMILES for (3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylmorpholine-4-carboxamide is C[C@@H]1COCCN1C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of (3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylmorpholine-4-carboxamide?
The InChIKey is AULWBESYHHTOEK-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12-11-24-10-9-21(12)18(23)19-13(2)14-5-7-16(8-6-14)20-17(22)15-3-4-15/h5-8,12-13,15H,3-4,9-11H2,1-2H3,(H,19,23)(H,20,22)/t12-,13-/m1/s1.
What are the key properties of (3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylmorpholine-4-carboxamide?
(3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylmorpholine-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylmorpholine-4-carboxamide is sourced from PubChem (CID 94110131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).