(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide

C18H25ClN2O3 — CID 125435853

IUPAC(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide
SMILESCC(C)Oc1ccc(Cl)cc1CNC(=O)N1CCO[C@H](C2CC2)C1
InChIInChI=1S/C18H25ClN2O3/c1-12(2)24-16-6-5-15(19)9-14(16)10-20-18(22)21-7-8-23-17(11-21)13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyYPFAONAORMBGDT-KRWDZBQOSA-N
MW352.86 g/mol
LogP3.45
Rot. Bonds5

About (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide

(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide (PubChem CID 125435853) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide
PubChem CID125435853
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC Name(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide
SMILESCC(C)Oc1ccc(Cl)cc1CNC(=O)N1CCO[C@H](C2CC2)C1
InChIInChI=1S/C18H25ClN2O3/c1-12(2)24-16-6-5-15(19)9-14(16)10-20-18(22)21-7-8-23-17(11-21)13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyYPFAONAORMBGDT-KRWDZBQOSA-N
XLogP3.45
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carboxamide
CID 122568828
4-N-[(5-chloro-2-propoxyphenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide
CID 122562275
N-[(5-chloro-2-methoxyphenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide
CID 78892218
tert-butyl N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]carbamate
CID 102538086
acetic acid;(1S,3R,4R)-3-amino-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-4-hydroxycyclohexane-1-carboxamide
CID 155938513
(2S)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125440627
(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125440613
4-[[(2-cyclohexylmorpholine-4-carbonyl)amino]methyl]benzoic acid
CID 122020818
(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 51990119
(2R)-2-(3-chloro-4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 129369467
N-[(5-chloro-2-methoxyphenyl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 146123480
(2R)-N-[(4-chloro-2-fluorophenyl)methyl]-2-(furan-2-yl)morpholine-4-carboxamide
CID 124619649

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide?
The IUPAC name of (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide (CID 125435853) is (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide?
The canonical SMILES for (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide is CC(C)Oc1ccc(Cl)cc1CNC(=O)N1CCO[C@H](C2CC2)C1.
What is the InChIKey of (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide?
The InChIKey is YPFAONAORMBGDT-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c1-12(2)24-16-6-5-15(19)9-14(16)10-20-18(22)21-7-8-23-17(11-21)13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H,20,22)/t17-/m0/s1.
What are the key properties of (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide?
(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide has a molecular weight of 352.86 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide is sourced from PubChem (CID 125435853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).