N-[2-[bis[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propylpropanamide;propane

C27H40N2O4 — CID 168975874

IUPACN-[2-[bis[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propylpropanamide;propane
SMILESCCC.CCCN(CC(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1)C(=O)CC
InChIInChI=1S/C24H32N2O4.C3H8/c1-5-15-25(23(27)6-2)18-24(28)26(16-19-7-11-21(29-3)12-8-19)17-20-9-13-22(30-4)14-10-20;1-3-2/h7-14H,5-6,15-18H2,1-4H3;3H2,1-2H3
InChIKeyKXCHOULGGZPHLH-UHFFFAOYSA-N
MW456.63 g/mol
LogP5.30
Rot. Bonds11

About N-[2-[bis[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propylpropanamide;propane

N-[2-[bis[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propylpropanamide;propane (PubChem CID 168975874) has the molecular formula C27H40N2O4 and a molecular weight of 456.63 g/mol. Its IUPAC name is N-[2-[bis[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propylpropanamide;propane.

Molecular Properties

Compound NameN-[2-[bis[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propylpropanamide;propane
PubChem CID168975874
Molecular FormulaC27H40N2O4
Molecular Weight456.63 g/mol
Exact Mass456.30
IUPAC NameN-[2-[bis[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propylpropanamide;propane
SMILESCCC.CCCN(CC(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1)C(=O)CC
InChIInChI=1S/C24H32N2O4.C3H8/c1-5-15-25(23(27)6-2)18-24(28)26(16-19-7-11-21(29-3)12-8-19)17-20-9-13-22(30-4)14-10-20;1-3-2/h7-14H,5-6,15-18H2,1-4H3;3H2,1-2H3
InChIKeyKXCHOULGGZPHLH-UHFFFAOYSA-N
XLogP5.30
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N,N-dipropylacetamide
CID 113163098
2-[(4-methoxyphenyl)methyl-propylamino]acetic acid
CID 55026148
N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46988817
2-bromo-N,N-bis[(4-methoxyphenyl)methyl]acetamide
CID 10904936
2-methoxy-N-[(4-methoxyphenyl)methyl]-N-propylpyrimidine-5-carboxamide
CID 50982044
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylpropanamide
CID 4252253
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
2-[3-(4-methoxyphenoxy)propanoyl-propylamino]acetic acid
CID 61013285
2-[benzyl(propyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 78823618
2-[3-(4-methoxyphenyl)pentanoyl-propylamino]acetic acid
CID 120686453
2-[(6-methoxynaphthalen-2-yl)methyl-propylamino]acetic acid
CID 65064840
[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 9345553

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propylpropanamide;propane?
The IUPAC name of N-[2-[bis[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propylpropanamide;propane (CID 168975874) is N-[2-[bis[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propylpropanamide;propane.
What is the SMILES notation for N-[2-[bis[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propylpropanamide;propane?
The canonical SMILES for N-[2-[bis[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propylpropanamide;propane is CCC.CCCN(CC(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1)C(=O)CC.
What is the InChIKey of N-[2-[bis[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propylpropanamide;propane?
The InChIKey is KXCHOULGGZPHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4.C3H8/c1-5-15-25(23(27)6-2)18-24(28)26(16-19-7-11-21(29-3)12-8-19)17-20-9-13-22(30-4)14-10-20;1-3-2/h7-14H,5-6,15-18H2,1-4H3;3H2,1-2H3.
What are the key properties of N-[2-[bis[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propylpropanamide;propane?
N-[2-[bis[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propylpropanamide;propane has a molecular weight of 456.63 g/mol, XLogP of 5.30, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propylpropanamide;propane is sourced from PubChem (CID 168975874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).