2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N,N-dipropylacetamide

C18H28N2O3 — CID 113163098

IUPAC2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(Cc1ccc(OC)cc1)C(C)=O
InChIInChI=1S/C18H28N2O3/c1-5-11-19(12-6-2)18(22)14-20(15(3)21)13-16-7-9-17(23-4)10-8-16/h7-10H,5-6,11-14H2,1-4H3
InChIKeyVQYURZXVPDRVPR-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.69
Rot. Bonds9

About 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N,N-dipropylacetamide

2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N,N-dipropylacetamide (PubChem CID 113163098) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N,N-dipropylacetamide
PubChem CID113163098
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(Cc1ccc(OC)cc1)C(C)=O
InChIInChI=1S/C18H28N2O3/c1-5-11-19(12-6-2)18(22)14-20(15(3)21)13-16-7-9-17(23-4)10-8-16/h7-10H,5-6,11-14H2,1-4H3
InChIKeyVQYURZXVPDRVPR-UHFFFAOYSA-N
XLogP2.69
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[bis[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propylpropanamide;propane
CID 168975874
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butyl-N-methylpropanamide
CID 113119927
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]butanamide
CID 113054996
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)acetamide
CID 113163115
2-[(4-methoxyphenyl)methyl-propylamino]acetic acid
CID 55026148
N-[(4-methoxyphenyl)methyl]-N-(tributylstannylmethyl)acetamide
CID 10528779
N-(4-acetamidophenyl)-2-[acetyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 113163156
2-bromo-N,N-bis[(4-methoxyphenyl)methyl]acetamide
CID 10904936
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butylpropanamide
CID 113119864
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
2-methoxy-N-[(4-methoxyphenyl)methyl]-N-propylpyrimidine-5-carboxamide
CID 50982044
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 113163104

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N,N-dipropylacetamide?
The IUPAC name of 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N,N-dipropylacetamide (CID 113163098) is 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N,N-dipropylacetamide?
The canonical SMILES for 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CN(Cc1ccc(OC)cc1)C(C)=O.
What is the InChIKey of 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N,N-dipropylacetamide?
The InChIKey is VQYURZXVPDRVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-5-11-19(12-6-2)18(22)14-20(15(3)21)13-16-7-9-17(23-4)10-8-16/h7-10H,5-6,11-14H2,1-4H3.
What are the key properties of 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N,N-dipropylacetamide?
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N,N-dipropylacetamide has a molecular weight of 320.43 g/mol, XLogP of 2.69, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N,N-dipropylacetamide is sourced from PubChem (CID 113163098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).