(2S)-2-(cyclopropylmethoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide

C19H29N3O2 — CID 94797180

IUPAC(2S)-2-(cyclopropylmethoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESCc1cc(NC(=O)[C@H](C)OCC2CC2)ccc1N1CCN(C)CC1
InChIInChI=1S/C19H29N3O2/c1-14-12-17(20-19(23)15(2)24-13-16-4-5-16)6-7-18(14)22-10-8-21(3)9-11-22/h6-7,12,15-16H,4-5,8-11,13H2,1-3H3,(H,20,23)/t15-/m0/s1
InChIKeyFWEXKOOMDGMDAJ-HNNXBMFYSA-N
MW331.46 g/mol
LogP2.50
Rot. Bonds6

About (2S)-2-(cyclopropylmethoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide

(2S)-2-(cyclopropylmethoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide (PubChem CID 94797180) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (2S)-2-(cyclopropylmethoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(cyclopropylmethoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
PubChem CID94797180
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(2S)-2-(cyclopropylmethoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESCc1cc(NC(=O)[C@H](C)OCC2CC2)ccc1N1CCN(C)CC1
InChIInChI=1S/C19H29N3O2/c1-14-12-17(20-19(23)15(2)24-13-16-4-5-16)6-7-18(14)22-10-8-21(3)9-11-22/h6-7,12,15-16H,4-5,8-11,13H2,1-3H3,(H,20,23)/t15-/m0/s1
InChIKeyFWEXKOOMDGMDAJ-HNNXBMFYSA-N
XLogP2.50
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-(cyclopropylmethoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]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

(2R)-2-(methanesulfonamido)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 95034477
2-(methanesulfonamido)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 47928009
trans-(1S,2S)-2-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 25344418
4-methyl-N-[3-methyl-1-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-oxobutan-2-yl]benzamide
CID 134016340
4-chloro-N-[3-methyl-1-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-oxopentan-2-yl]benzamide
CID 134016338
3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-[(2-phenoxyacetyl)amino]butanamide
CID 134016392
2-(cyclopropylmethoxy)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide
CID 47079469
N-(3-chloro-4-piperidin-1-ylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48861457
4-[2-(cyclopropylmethoxy)propanoylamino]-N-methylbenzamide
CID 47422905
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 39726957
2-(2-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 24535268
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 24535265

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclopropylmethoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The IUPAC name of (2S)-2-(cyclopropylmethoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide (CID 94797180) is (2S)-2-(cyclopropylmethoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(cyclopropylmethoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(cyclopropylmethoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide is Cc1cc(NC(=O)[C@H](C)OCC2CC2)ccc1N1CCN(C)CC1.
What is the InChIKey of (2S)-2-(cyclopropylmethoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The InChIKey is FWEXKOOMDGMDAJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14-12-17(20-19(23)15(2)24-13-16-4-5-16)6-7-18(14)22-10-8-21(3)9-11-22/h6-7,12,15-16H,4-5,8-11,13H2,1-3H3,(H,20,23)/t15-/m0/s1.
What are the key properties of (2S)-2-(cyclopropylmethoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide?
(2S)-2-(cyclopropylmethoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide has a molecular weight of 331.46 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclopropylmethoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide is sourced from PubChem (CID 94797180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).