N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide

C22H28ClN3O3 — CID 17491927

IUPACN-(3-chloro-4-methoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
SMILESCOc1ccc(NC(=O)C(C)N(C)Cc2ccccc2N2CCOCC2)cc1Cl
InChIInChI=1S/C22H28ClN3O3/c1-16(22(27)24-18-8-9-21(28-3)19(23)14-18)25(2)15-17-6-4-5-7-20(17)26-10-12-29-13-11-26/h4-9,14,16H,10-13,15H2,1-3H3,(H,24,27)
InChIKeyGFGSPJZNYBVTBC-UHFFFAOYSA-N
MW417.94 g/mol
LogP3.64
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide

N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide (PubChem CID 17491927) has the molecular formula C22H28ClN3O3 and a molecular weight of 417.94 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
PubChem CID17491927
Molecular FormulaC22H28ClN3O3
Molecular Weight417.94 g/mol
Exact Mass417.18
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
SMILESCOc1ccc(NC(=O)C(C)N(C)Cc2ccccc2N2CCOCC2)cc1Cl
InChIInChI=1S/C22H28ClN3O3/c1-16(22(27)24-18-8-9-21(28-3)19(23)14-18)25(2)15-17-6-4-5-7-20(17)26-10-12-29-13-11-26/h4-9,14,16H,10-13,15H2,1-3H3,(H,24,27)
InChIKeyGFGSPJZNYBVTBC-UHFFFAOYSA-N
XLogP3.64
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 17491426
(2R)-N-(3-chlorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 26381467
(2S)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-phenylpropanamide
CID 26381814
N-(3-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 42888083
(2R)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 41118821
(2R)-N-(2-chloro-4-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 25329070
(2R)-N-(4-chloro-2-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 26382172
2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 45356007
methyl (2S)-2-(2-chlorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetate
CID 51932562
(2S)-N-(2,4-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 25468215
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 51168347
(2R)-N-(3,5-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-phenylacetamide
CID 25334129

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide (CID 17491927) is N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide is COc1ccc(NC(=O)C(C)N(C)Cc2ccccc2N2CCOCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide?
The InChIKey is GFGSPJZNYBVTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O3/c1-16(22(27)24-18-8-9-21(28-3)19(23)14-18)25(2)15-17-6-4-5-7-20(17)26-10-12-29-13-11-26/h4-9,14,16H,10-13,15H2,1-3H3,(H,24,27).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide?
N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide has a molecular weight of 417.94 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 17491927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).