(2S)-N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide

C24H38N4O3 — CID 97027966

IUPAC(2S)-N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide
SMILESCCCOc1ccc(CN(CCCN(C)C)C(=O)[C@H](C)n2nc(C)cc2C)cc1OC
InChIInChI=1S/C24H38N4O3/c1-8-14-31-22-11-10-21(16-23(22)30-7)17-27(13-9-12-26(5)6)24(29)20(4)28-19(3)15-18(2)25-28/h10-11,15-16,20H,8-9,12-14,17H2,1-7H3/t20-/m0/s1
InChIKeyWBIBTAUXBFGMBL-FQEVSTJZSA-N
MW430.59 g/mol
LogP3.84
Rot. Bonds12

About (2S)-N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide

(2S)-N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide (PubChem CID 97027966) has the molecular formula C24H38N4O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is (2S)-N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide
PubChem CID97027966
Molecular FormulaC24H38N4O3
Molecular Weight430.59 g/mol
Exact Mass430.29
IUPAC Name(2S)-N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide
SMILESCCCOc1ccc(CN(CCCN(C)C)C(=O)[C@H](C)n2nc(C)cc2C)cc1OC
InChIInChI=1S/C24H38N4O3/c1-8-14-31-22-11-10-21(16-23(22)30-7)17-27(13-9-12-26(5)6)24(29)20(4)28-19(3)15-18(2)25-28/h10-11,15-16,20H,8-9,12-14,17H2,1-7H3/t20-/m0/s1
InChIKeyWBIBTAUXBFGMBL-FQEVSTJZSA-N
XLogP3.84
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide with MolForge

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Related Compounds

(2S)-2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylbutanamide
CID 119268690
2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332838
2-(3-methoxy-4-methylphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55455967
2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119268681
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide
CID 55875216
N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propyl-2-(trifluoromethylsulfanyl)acetamide
CID 55666830
N-[(3-methoxy-4-propoxyphenyl)methyl]-6-oxo-N,1-dipropylpyridazine-3-carboxamide
CID 55332644
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332541
N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylsulfanyl-N-propylpropanamide
CID 55686789
N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 42480956
N-butyl-2-ethyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]hexanamide
CID 42705071
2-(4-aminophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119684727

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide?
The IUPAC name of (2S)-N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide (CID 97027966) is (2S)-N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide?
The canonical SMILES for (2S)-N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide is CCCOc1ccc(CN(CCCN(C)C)C(=O)[C@H](C)n2nc(C)cc2C)cc1OC.
What is the InChIKey of (2S)-N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide?
The InChIKey is WBIBTAUXBFGMBL-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H38N4O3/c1-8-14-31-22-11-10-21(16-23(22)30-7)17-27(13-9-12-26(5)6)24(29)20(4)28-19(3)15-18(2)25-28/h10-11,15-16,20H,8-9,12-14,17H2,1-7H3/t20-/m0/s1.
What are the key properties of (2S)-N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide?
(2S)-N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide has a molecular weight of 430.59 g/mol, XLogP of 3.84, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide is sourced from PubChem (CID 97027966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).