(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide

C22H30N4O2 — CID 165405070

IUPAC(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide
SMILESCc1ncc([C@@H](CC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)C2CC2)cn1
InChIInChI=1S/C22H30N4O2/c1-15-23-12-18(13-24-15)21(17-6-7-17)11-22(28)25-14-19(26(2)3)10-16-4-8-20(27)9-5-16/h4-5,8-9,12-13,17,19,21,27H,6-7,10-11,14H2,1-3H3,(H,25,28)/t19-,21-/m0/s1
InChIKeyWFRBTVMRIAXVQG-FPOVZHCZSA-N
MW382.51 g/mol
LogP2.66
Rot. Bonds9

About (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide

(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide (PubChem CID 165405070) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide.

Molecular Properties

Compound Name(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide
PubChem CID165405070
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide
SMILESCc1ncc([C@@H](CC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)C2CC2)cn1
InChIInChI=1S/C22H30N4O2/c1-15-23-12-18(13-24-15)21(17-6-7-17)11-22(28)25-14-19(26(2)3)10-16-4-8-20(27)9-5-16/h4-5,8-9,12-13,17,19,21,27H,6-7,10-11,14H2,1-3H3,(H,25,28)/t19-,21-/m0/s1
InChIKeyWFRBTVMRIAXVQG-FPOVZHCZSA-N
XLogP2.66
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide?
The IUPAC name of (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide (CID 165405070) is (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide.
What is the SMILES notation for (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide?
The canonical SMILES for (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide is Cc1ncc([C@@H](CC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)C2CC2)cn1.
What is the InChIKey of (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide?
The InChIKey is WFRBTVMRIAXVQG-FPOVZHCZSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-15-23-12-18(13-24-15)21(17-6-7-17)11-22(28)25-14-19(26(2)3)10-16-4-8-20(27)9-5-16/h4-5,8-9,12-13,17,19,21,27H,6-7,10-11,14H2,1-3H3,(H,25,28)/t19-,21-/m0/s1.
What are the key properties of (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide?
(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide has a molecular weight of 382.51 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide is sourced from PubChem (CID 165405070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).