(2S)-2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylbutanamide

C18H30N2O3 — CID 119268690

IUPAC(2S)-2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylbutanamide
SMILESCCCOc1ccc(CN(CCC)C(=O)[C@@H](N)CC)cc1OC
InChIInChI=1S/C18H30N2O3/c1-5-10-20(18(21)15(19)7-3)13-14-8-9-16(23-11-6-2)17(12-14)22-4/h8-9,12,15H,5-7,10-11,13,19H2,1-4H3/t15-/m0/s1
InChIKeyRLFHJVGDYIMIIF-HNNXBMFYSA-N
MW322.45 g/mol
LogP2.96
Rot. Bonds10

About (2S)-2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylbutanamide

(2S)-2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylbutanamide (PubChem CID 119268690) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylbutanamide
PubChem CID119268690
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name(2S)-2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylbutanamide
SMILESCCCOc1ccc(CN(CCC)C(=O)[C@@H](N)CC)cc1OC
InChIInChI=1S/C18H30N2O3/c1-5-10-20(18(21)15(19)7-3)13-14-8-9-16(23-11-6-2)17(12-14)22-4/h8-9,12,15H,5-7,10-11,13,19H2,1-4H3/t15-/m0/s1
InChIKeyRLFHJVGDYIMIIF-HNNXBMFYSA-N
XLogP2.96
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119268681
2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332838
2-(4-aminophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119684727
2-(3-methoxy-4-methylphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55455967
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332541
2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332598
N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propyl-2-(trifluoromethylsulfanyl)acetamide
CID 55666830
N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylsulfanyl-N-propylpropanamide
CID 55686789
(2S)-N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide
CID 97027966
N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide
CID 71106778
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide
CID 55875216
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-methyl-1,3-dioxo-N-propylisoindole-5-carboxamide
CID 55332708

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylbutanamide (CID 119268690) is (2S)-2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylbutanamide is CCCOc1ccc(CN(CCC)C(=O)[C@@H](N)CC)cc1OC.
What is the InChIKey of (2S)-2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylbutanamide?
The InChIKey is RLFHJVGDYIMIIF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-5-10-20(18(21)15(19)7-3)13-14-8-9-16(23-11-6-2)17(12-14)22-4/h8-9,12,15H,5-7,10-11,13,19H2,1-4H3/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylbutanamide?
(2S)-2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylbutanamide has a molecular weight of 322.45 g/mol, XLogP of 2.96, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylbutanamide is sourced from PubChem (CID 119268690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).