2-(3-aminopropoxy)-3-methoxy-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide

C19H25N3O3 — CID 118787115

IUPAC2-(3-aminopropoxy)-3-methoxy-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NC(C)c2ccc(C)nc2)c1OCCCN
InChIInChI=1S/C19H25N3O3/c1-13-8-9-15(12-21-13)14(2)22-19(23)16-6-4-7-17(24-3)18(16)25-11-5-10-20/h4,6-9,12,14H,5,10-11,20H2,1-3H3,(H,22,23)
InChIKeyAVTDKGYFWKVNBN-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.62
Rot. Bonds8

About 2-(3-aminopropoxy)-3-methoxy-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide

2-(3-aminopropoxy)-3-methoxy-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide (PubChem CID 118787115) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(3-aminopropoxy)-3-methoxy-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide.

Molecular Properties

Compound Name2-(3-aminopropoxy)-3-methoxy-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
PubChem CID118787115
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-(3-aminopropoxy)-3-methoxy-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NC(C)c2ccc(C)nc2)c1OCCCN
InChIInChI=1S/C19H25N3O3/c1-13-8-9-15(12-21-13)14(2)22-19(23)16-6-4-7-17(24-3)18(16)25-11-5-10-20/h4,6-9,12,14H,5,10-11,20H2,1-3H3,(H,22,23)
InChIKeyAVTDKGYFWKVNBN-UHFFFAOYSA-N
XLogP2.62
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminopropoxy)-3-methoxy-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzamide
CID 125170184
2-(3-aminopropoxy)-3-methoxy-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide
CID 118762255
2-(3-aminopropoxy)-3-methoxy-N-(1-thiophen-3-ylethyl)benzamide
CID 118790837
3-(3-aminopropoxy)-4-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 126452473
2-methoxy-5-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 91790353
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,3-dimethoxybenzamide
CID 47034214
N-[1-(3,4,5-trimethoxyphenyl)ethyl]quinoline-5-carboxamide
CID 55725605
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide
CID 95601254
2,3-dimethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 46432760
2-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43876733
3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832
2,3-dimethoxy-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide
CID 56725038

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropoxy)-3-methoxy-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide?
The IUPAC name of 2-(3-aminopropoxy)-3-methoxy-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide (CID 118787115) is 2-(3-aminopropoxy)-3-methoxy-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide.
What is the SMILES notation for 2-(3-aminopropoxy)-3-methoxy-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide?
The canonical SMILES for 2-(3-aminopropoxy)-3-methoxy-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide is COc1cccc(C(=O)NC(C)c2ccc(C)nc2)c1OCCCN.
What is the InChIKey of 2-(3-aminopropoxy)-3-methoxy-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide?
The InChIKey is AVTDKGYFWKVNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-8-9-15(12-21-13)14(2)22-19(23)16-6-4-7-17(24-3)18(16)25-11-5-10-20/h4,6-9,12,14H,5,10-11,20H2,1-3H3,(H,22,23).
What are the key properties of 2-(3-aminopropoxy)-3-methoxy-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide?
2-(3-aminopropoxy)-3-methoxy-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide has a molecular weight of 343.43 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropoxy)-3-methoxy-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide is sourced from PubChem (CID 118787115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).