N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-ethoxycyclopropane-1-carboxamide

C18H25ClN2O3 — CID 127702085

IUPACN-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-ethoxycyclopropane-1-carboxamide
SMILESCCOC1CC1C(=O)NC(c1ccc(Cl)cc1)C1CN(C)CCO1
InChIInChI=1S/C18H25ClN2O3/c1-3-23-15-10-14(15)18(22)20-17(12-4-6-13(19)7-5-12)16-11-21(2)8-9-24-16/h4-7,14-17H,3,8-11H2,1-2H3,(H,20,22)
InChIKeyIJZNGCUYLZFPER-UHFFFAOYSA-N
MW352.86 g/mol
LogP2.25
Rot. Bonds6

About N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-ethoxycyclopropane-1-carboxamide

N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-ethoxycyclopropane-1-carboxamide (PubChem CID 127702085) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-ethoxycyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-ethoxycyclopropane-1-carboxamide
PubChem CID127702085
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC NameN-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-ethoxycyclopropane-1-carboxamide
SMILESCCOC1CC1C(=O)NC(c1ccc(Cl)cc1)C1CN(C)CCO1
InChIInChI=1S/C18H25ClN2O3/c1-3-23-15-10-14(15)18(22)20-17(12-4-6-13(19)7-5-12)16-11-21(2)8-9-24-16/h4-7,14-17H,3,8-11H2,1-2H3,(H,20,22)
InChIKeyIJZNGCUYLZFPER-UHFFFAOYSA-N
XLogP2.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-methoxypropanamide
CID 75437440
N-[2-[[(R)-(4-chlorophenyl)-[(2S)-4-methylmorpholin-2-yl]methyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 97251834
N-[2-[[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 75395849
N-[(4-methylmorpholin-2-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 79095155
N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 86795754
N-[(4-ethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79092700
N-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093467
(1R)-1-(4-chlorophenyl)-N-[(2-methoxy-4-methylphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 97253369
(1S)-1-(4-chlorophenyl)-1-[(2R)-4-methylmorpholin-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine
CID 124777264
1-(4-chlorophenyl)-1-(4-methylmorpholin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 75514588
1-(4-chlorophenyl)-N-[(1R)-1-[(2R)-4-methylmorpholin-2-yl]ethyl]cyclopropane-1-carboxamide
CID 97086288
1-(4-chlorophenyl)-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclopropane-1-carboxamide
CID 97086285

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-ethoxycyclopropane-1-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-ethoxycyclopropane-1-carboxamide (CID 127702085) is N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-ethoxycyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-ethoxycyclopropane-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-ethoxycyclopropane-1-carboxamide is CCOC1CC1C(=O)NC(c1ccc(Cl)cc1)C1CN(C)CCO1.
What is the InChIKey of N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-ethoxycyclopropane-1-carboxamide?
The InChIKey is IJZNGCUYLZFPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c1-3-23-15-10-14(15)18(22)20-17(12-4-6-13(19)7-5-12)16-11-21(2)8-9-24-16/h4-7,14-17H,3,8-11H2,1-2H3,(H,20,22).
What are the key properties of N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-ethoxycyclopropane-1-carboxamide?
N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-ethoxycyclopropane-1-carboxamide has a molecular weight of 352.86 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-ethoxycyclopropane-1-carboxamide is sourced from PubChem (CID 127702085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).