3-(4-chlorophenoxy)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]propanamide

C19H27ClN2O4 — CID 55712477

IUPAC3-(4-chlorophenoxy)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]propanamide
SMILESO=C(CCOc1ccc(Cl)cc1)NCC(C1CCOC1)N1CCOCC1
InChIInChI=1S/C19H27ClN2O4/c20-16-1-3-17(4-2-16)26-10-6-19(23)21-13-18(15-5-9-25-14-15)22-7-11-24-12-8-22/h1-4,15,18H,5-14H2,(H,21,23)
InChIKeyCAXWRVJJZVQHNE-UHFFFAOYSA-N
MW382.89 g/mol
LogP1.96
Rot. Bonds8

About 3-(4-chlorophenoxy)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]propanamide

3-(4-chlorophenoxy)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]propanamide (PubChem CID 55712477) has the molecular formula C19H27ClN2O4 and a molecular weight of 382.89 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]propanamide
PubChem CID55712477
Molecular FormulaC19H27ClN2O4
Molecular Weight382.89 g/mol
Exact Mass382.17
IUPAC Name3-(4-chlorophenoxy)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]propanamide
SMILESO=C(CCOc1ccc(Cl)cc1)NCC(C1CCOC1)N1CCOCC1
InChIInChI=1S/C19H27ClN2O4/c20-16-1-3-17(4-2-16)26-10-6-19(23)21-13-18(15-5-9-25-14-15)22-7-11-24-12-8-22/h1-4,15,18H,5-14H2,(H,21,23)
InChIKeyCAXWRVJJZVQHNE-UHFFFAOYSA-N
XLogP1.96
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]acetamide
CID 55602811
2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide
CID 94150138
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55603157
tert-butyl N-[3-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-3-oxopropyl]carbamate
CID 55603155
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 55603217
1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55696727
tert-butyl N-[4-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-4-oxobutyl]carbamate
CID 55603240
cis-(1S,2R)-2-methyl-N-[3-[[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 124738964
N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]thiophene-2-carboxamide
CID 94083431
5-ethyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]thiophene-2-carboxamide
CID 94021730
1-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-3-pyridin-4-ylurea
CID 94030463
(2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide
CID 94150246

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]propanamide?
The IUPAC name of 3-(4-chlorophenoxy)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]propanamide (CID 55712477) is 3-(4-chlorophenoxy)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenoxy)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-chlorophenoxy)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]propanamide is O=C(CCOc1ccc(Cl)cc1)NCC(C1CCOC1)N1CCOCC1.
What is the InChIKey of 3-(4-chlorophenoxy)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]propanamide?
The InChIKey is CAXWRVJJZVQHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O4/c20-16-1-3-17(4-2-16)26-10-6-19(23)21-13-18(15-5-9-25-14-15)22-7-11-24-12-8-22/h1-4,15,18H,5-14H2,(H,21,23).
What are the key properties of 3-(4-chlorophenoxy)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]propanamide?
3-(4-chlorophenoxy)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]propanamide has a molecular weight of 382.89 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]propanamide is sourced from PubChem (CID 55712477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).