3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-pyridin-3-ylpropyl)propanamide

C22H28N2O3 — CID 110408995

IUPAC3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCCCc2cccnc2)C2CC2)cc1OC
InChIInChI=1S/C22H28N2O3/c1-26-20-10-9-18(13-21(20)27-2)19(17-7-8-17)14-22(25)24-12-4-6-16-5-3-11-23-15-16/h3,5,9-11,13,15,17,19H,4,6-8,12,14H2,1-2H3,(H,24,25)
InChIKeyKFSMKHRVPVTKRO-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.73
Rot. Bonds10

About 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-pyridin-3-ylpropyl)propanamide

3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-pyridin-3-ylpropyl)propanamide (PubChem CID 110408995) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-pyridin-3-ylpropyl)propanamide.

Molecular Properties

Compound Name3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
PubChem CID110408995
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCCCc2cccnc2)C2CC2)cc1OC
InChIInChI=1S/C22H28N2O3/c1-26-20-10-9-18(13-21(20)27-2)19(17-7-8-17)14-22(25)24-12-4-6-16-5-3-11-23-15-16/h3,5,9-11,13,15,17,19H,4,6-8,12,14H2,1-2H3,(H,24,25)
InChIKeyKFSMKHRVPVTKRO-UHFFFAOYSA-N
XLogP3.73
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide
CID 110407527
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)propanamide
CID 110415573
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methylsulfonylethyl)propanamide
CID 110425232
3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 110297293
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-methoxypropanamide
CID 110611785
3-cyclopropyl-N,3-bis(3,4-dimethoxyphenyl)propanamide
CID 110423126
2,2-bis(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)cyclopropane-1-carboxamide
CID 23051246
3-methyl-N-(4-pyridin-3-ylbutyl)butanamide
CID 110661269
2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide
CID 110400247
3-bromo-4-methoxy-N-(3-pyridin-3-ylpropyl)benzamide
CID 110607078
3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propanamide
CID 110310845
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 9269124

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-pyridin-3-ylpropyl)propanamide?
The IUPAC name of 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-pyridin-3-ylpropyl)propanamide (CID 110408995) is 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-pyridin-3-ylpropyl)propanamide.
What is the SMILES notation for 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-pyridin-3-ylpropyl)propanamide?
The canonical SMILES for 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-pyridin-3-ylpropyl)propanamide is COc1ccc(C(CC(=O)NCCCc2cccnc2)C2CC2)cc1OC.
What is the InChIKey of 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-pyridin-3-ylpropyl)propanamide?
The InChIKey is KFSMKHRVPVTKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-26-20-10-9-18(13-21(20)27-2)19(17-7-8-17)14-22(25)24-12-4-6-16-5-3-11-23-15-16/h3,5,9-11,13,15,17,19H,4,6-8,12,14H2,1-2H3,(H,24,25).
What are the key properties of 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-pyridin-3-ylpropyl)propanamide?
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-pyridin-3-ylpropyl)propanamide has a molecular weight of 368.48 g/mol, XLogP of 3.73, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-pyridin-3-ylpropyl)propanamide is sourced from PubChem (CID 110408995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).