N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide

C23H33N3O3 — CID 42480956

IUPACN-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc(CN(Cc2cccnc2)C(=O)C(C)C)cc1OCCCN(C)C
InChIInChI=1S/C23H33N3O3/c1-18(2)23(27)26(17-20-8-6-11-24-15-20)16-19-9-10-21(28-5)22(14-19)29-13-7-12-25(3)4/h6,8-11,14-15,18H,7,12-13,16-17H2,1-5H3
InChIKeyUTUODQNQDBPELH-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.61
Rot. Bonds11

About N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide

N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 42480956) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID42480956
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC NameN-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc(CN(Cc2cccnc2)C(=O)C(C)C)cc1OCCCN(C)C
InChIInChI=1S/C23H33N3O3/c1-18(2)23(27)26(17-20-8-6-11-24-15-20)16-19-9-10-21(28-5)22(14-19)29-13-7-12-25(3)4/h6,8-11,14-15,18H,7,12-13,16-17H2,1-5H3
InChIKeyUTUODQNQDBPELH-UHFFFAOYSA-N
XLogP3.61
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 45233393
1-[2-(dimethylamino)ethyl]-3-(2-methoxy-5-methylphenyl)-1-(pyridin-3-ylmethyl)urea
CID 87009032
4-[[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]methyl]-2-methoxyphenol
CID 43817991
2-bromo-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 107904634
N-[(2-methoxyphenyl)methyl]-2-methyl-3-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propanamide
CID 46998936
N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
3-[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]propanoic acid
CID 22681315
(E)-3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 42432873
1-[3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]-4-methoxyphenyl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 172674047
3-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 62670710
3-[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]-2-phenylpropanoic acid
CID 22686314
(2S,3S)-2-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 61162699

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide (CID 42480956) is N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide is COc1ccc(CN(Cc2cccnc2)C(=O)C(C)C)cc1OCCCN(C)C.
What is the InChIKey of N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is UTUODQNQDBPELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-18(2)23(27)26(17-20-8-6-11-24-15-20)16-19-9-10-21(28-5)22(14-19)29-13-7-12-25(3)4/h6,8-11,14-15,18H,7,12-13,16-17H2,1-5H3.
What are the key properties of N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide?
N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 399.54 g/mol, XLogP of 3.61, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 42480956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).