(2R)-N-(3,5-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-phenylacetamide

C28H33N3O2 — CID 25334129

IUPAC(2R)-N-(3,5-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-phenylacetamide
SMILESCc1cc(C)cc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C28H33N3O2/c1-21-17-22(2)19-25(18-21)29-28(32)27(23-9-5-4-6-10-23)30(3)20-24-11-7-8-12-26(24)31-13-15-33-16-14-31/h4-12,17-19,27H,13-16,20H2,1-3H3,(H,29,32)/t27-/m1/s1
InChIKeyUBTIMPPIKPDMAD-HHHXNRCGSA-N
MW443.59 g/mol
LogP4.95
Rot. Bonds7

About (2R)-N-(3,5-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-phenylacetamide

(2R)-N-(3,5-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-phenylacetamide (PubChem CID 25334129) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is (2R)-N-(3,5-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(3,5-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-phenylacetamide
PubChem CID25334129
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC Name(2R)-N-(3,5-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-phenylacetamide
SMILESCc1cc(C)cc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C28H33N3O2/c1-21-17-22(2)19-25(18-21)29-28(32)27(23-9-5-4-6-10-23)30(3)20-24-11-7-8-12-26(24)31-13-15-33-16-14-31/h4-12,17-19,27H,13-16,20H2,1-3H3,(H,29,32)/t27-/m1/s1
InChIKeyUBTIMPPIKPDMAD-HHHXNRCGSA-N
XLogP4.95
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-phenylpropanamide
CID 26381814
(2S)-N-(2,4-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 25468215
N-(3-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 42888083
(2R)-N-(3-chlorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 26381467
(2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylbutanamide
CID 51925060
N-(4-methoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 17491426
(2R)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 41118821
N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 17491927
methyl (2S)-2-(2-chlorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetate
CID 51932562
(2R)-N-(2-chloro-4-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 25329070
N-(3,5-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 113111814
methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[(2-morpholin-4-ylphenyl)methyl]azanium
CID 9268106

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,5-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-phenylacetamide?
The IUPAC name of (2R)-N-(3,5-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-phenylacetamide (CID 25334129) is (2R)-N-(3,5-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(3,5-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-phenylacetamide?
The canonical SMILES for (2R)-N-(3,5-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-phenylacetamide is Cc1cc(C)cc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2ccccc2N2CCOCC2)c1.
What is the InChIKey of (2R)-N-(3,5-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-phenylacetamide?
The InChIKey is UBTIMPPIKPDMAD-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-21-17-22(2)19-25(18-21)29-28(32)27(23-9-5-4-6-10-23)30(3)20-24-11-7-8-12-26(24)31-13-15-33-16-14-31/h4-12,17-19,27H,13-16,20H2,1-3H3,(H,29,32)/t27-/m1/s1.
What are the key properties of (2R)-N-(3,5-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-phenylacetamide?
(2R)-N-(3,5-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-phenylacetamide has a molecular weight of 443.59 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,5-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-phenylacetamide is sourced from PubChem (CID 25334129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).