(2R)-2-[3-imidazol-1-ylpropyl(methyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide

C20H29N5O2 — CID 97236237

IUPAC(2R)-2-[3-imidazol-1-ylpropyl(methyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(C)CCCn1ccnc1
InChIInChI=1S/C20H29N5O2/c1-17(23(2)9-3-10-24-11-8-21-16-24)20(26)22-18-4-6-19(7-5-18)25-12-14-27-15-13-25/h4-8,11,16-17H,3,9-10,12-15H2,1-2H3,(H,22,26)/t17-/m1/s1
InChIKeySDYWERSFNQLEIP-QGZVFWFLSA-N
MW371.48 g/mol
LogP2.07
Rot. Bonds8

About (2R)-2-[3-imidazol-1-ylpropyl(methyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide

(2R)-2-[3-imidazol-1-ylpropyl(methyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 97236237) has the molecular formula C20H29N5O2 and a molecular weight of 371.48 g/mol. Its IUPAC name is (2R)-2-[3-imidazol-1-ylpropyl(methyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[3-imidazol-1-ylpropyl(methyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID97236237
Molecular FormulaC20H29N5O2
Molecular Weight371.48 g/mol
Exact Mass371.23
IUPAC Name(2R)-2-[3-imidazol-1-ylpropyl(methyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(C)CCCn1ccnc1
InChIInChI=1S/C20H29N5O2/c1-17(23(2)9-3-10-24-11-8-21-16-24)20(26)22-18-4-6-19(7-5-18)25-12-14-27-15-13-25/h4-8,11,16-17H,3,9-10,12-15H2,1-2H3,(H,22,26)/t17-/m1/s1
InChIKeySDYWERSFNQLEIP-QGZVFWFLSA-N
XLogP2.07
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze (2R)-2-[3-imidazol-1-ylpropyl(methyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 55869108
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 51168347
N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylaniline
CID 63180015
2-[(2-hydroxycyclohexyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 75448405
(2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 9030106
2-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 47076192
(2R)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 41118821
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
(2S)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-phenylpropanamide
CID 26381814
N-(2,3-dichlorophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351462
N-(2-methoxyphenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351529
N-(2-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351675

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-imidazol-1-ylpropyl(methyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of (2R)-2-[3-imidazol-1-ylpropyl(methyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide (CID 97236237) is (2R)-2-[3-imidazol-1-ylpropyl(methyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[3-imidazol-1-ylpropyl(methyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-[3-imidazol-1-ylpropyl(methyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide is C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(C)CCCn1ccnc1.
What is the InChIKey of (2R)-2-[3-imidazol-1-ylpropyl(methyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is SDYWERSFNQLEIP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-17(23(2)9-3-10-24-11-8-21-16-24)20(26)22-18-4-6-19(7-5-18)25-12-14-27-15-13-25/h4-8,11,16-17H,3,9-10,12-15H2,1-2H3,(H,22,26)/t17-/m1/s1.
What are the key properties of (2R)-2-[3-imidazol-1-ylpropyl(methyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide?
(2R)-2-[3-imidazol-1-ylpropyl(methyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 371.48 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-imidazol-1-ylpropyl(methyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 97236237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).