3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide

C21H27ClN2O3 — CID 24643835

IUPAC3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
SMILESCc1ccc(C(CNC(=O)CCc2ccc(C)c(Cl)c2)N2CCOCC2)o1
InChIInChI=1S/C21H27ClN2O3/c1-15-3-5-17(13-18(15)22)6-8-21(25)23-14-19(20-7-4-16(2)27-20)24-9-11-26-12-10-24/h3-5,7,13,19H,6,8-12,14H2,1-2H3,(H,23,25)
InChIKeyADNCXHBNQFCIMM-UHFFFAOYSA-N
MW390.91 g/mol
LogP3.67
Rot. Bonds7

About 3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide

3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide (PubChem CID 24643835) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
PubChem CID24643835
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC Name3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
SMILESCc1ccc(C(CNC(=O)CCc2ccc(C)c(Cl)c2)N2CCOCC2)o1
InChIInChI=1S/C21H27ClN2O3/c1-15-3-5-17(13-18(15)22)6-8-21(25)23-14-19(20-7-4-16(2)27-20)24-9-11-26-12-10-24/h3-5,7,13,19H,6,8-12,14H2,1-2H3,(H,23,25)
InChIKeyADNCXHBNQFCIMM-UHFFFAOYSA-N
XLogP3.67
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-difluorophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
CID 46546938
4-(3,4-dimethylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxobutanamide
CID 24643824
(E)-3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 134056100
3-(methanesulfonamido)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
CID 118763137
2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 74233266
2-(2,5-dichlorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 18164234
2-(2-chloro-5-methylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 18164100
2-(methylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 120703417
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 51283060
2,2-dimethyl-N-[4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]propanamide
CID 134056195
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-4-phenylbutanamide
CID 51283099

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide (CID 24643835) is 3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide is Cc1ccc(C(CNC(=O)CCc2ccc(C)c(Cl)c2)N2CCOCC2)o1.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide?
The InChIKey is ADNCXHBNQFCIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O3/c1-15-3-5-17(13-18(15)22)6-8-21(25)23-14-19(20-7-4-16(2)27-20)24-9-11-26-12-10-24/h3-5,7,13,19H,6,8-12,14H2,1-2H3,(H,23,25).
What are the key properties of 3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide?
3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide has a molecular weight of 390.91 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide is sourced from PubChem (CID 24643835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).