2-[4-[[5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-pyridinyl]oxy]-3-methoxyphenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide

C35H39N3O7 — CID 139479360

IUPAC2-[4-[[5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-pyridinyl]oxy]-3-methoxyphenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)Cc2ccc(Oc3ccc(CC(=O)NCCc4ccc(OC)c(OC)c4)cn3)c(OC)c2)c1
InChIInChI=1S/C35H39N3O7/c1-41-28-7-5-6-24(18-28)14-16-36-33(39)21-26-9-12-30(32(20-26)44-4)45-35-13-10-27(23-38-35)22-34(40)37-17-15-25-8-11-29(42-2)31(19-25)43-3/h5-13,18-20,23H,14-17,21-22H2,1-4H3,(H,36,39)(H,37,40)
InChIKeyBFHPUFBPVPRTLJ-UHFFFAOYSA-N
MW613.71 g/mol
LogP4.71
Rot. Bonds16

About 2-[4-[[5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-pyridinyl]oxy]-3-methoxyphenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide

2-[4-[[5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-pyridinyl]oxy]-3-methoxyphenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 139479360) has the molecular formula C35H39N3O7 and a molecular weight of 613.71 g/mol. Its IUPAC name is 2-[4-[[5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-pyridinyl]oxy]-3-methoxyphenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[[5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-pyridinyl]oxy]-3-methoxyphenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
PubChem CID139479360
Molecular FormulaC35H39N3O7
Molecular Weight613.71 g/mol
Exact Mass613.28
IUPAC Name2-[4-[[5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-pyridinyl]oxy]-3-methoxyphenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)Cc2ccc(Oc3ccc(CC(=O)NCCc4ccc(OC)c(OC)c4)cn3)c(OC)c2)c1
InChIInChI=1S/C35H39N3O7/c1-41-28-7-5-6-24(18-28)14-16-36-33(39)21-26-9-12-30(32(20-26)44-4)45-35-13-10-27(23-38-35)22-34(40)37-17-15-25-8-11-29(42-2)31(19-25)43-3/h5-13,18-20,23H,14-17,21-22H2,1-4H3,(H,36,39)(H,37,40)
InChIKeyBFHPUFBPVPRTLJ-UHFFFAOYSA-N
XLogP4.71
TPSA117.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500613.71
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-pyridinyl]oxy]-3-methoxyphenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide with MolForge

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Related Compounds

carbon dioxide;2-[3-methoxy-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 159982127
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985428
2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 10496902
2-(3-aminophenyl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 28711957
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 108891449
N-[2-(4-hydroxyphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 61017914
N-[2-(3-methoxyphenyl)ethyl]-2-(3-phenylmethoxyphenyl)acetamide
CID 13406973
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
2-[6-[4-(2-amino-2-oxoethyl)-2-methoxyphenoxy]-3-pyridinyl]acetic acid
CID 139479710
2-[3,5-bis(phenylmethoxy)phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 564164
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 17386439
2-(3-bromophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 99609358

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-pyridinyl]oxy]-3-methoxyphenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-[[5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-pyridinyl]oxy]-3-methoxyphenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide (CID 139479360) is 2-[4-[[5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-pyridinyl]oxy]-3-methoxyphenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-[[5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-pyridinyl]oxy]-3-methoxyphenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-[[5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-pyridinyl]oxy]-3-methoxyphenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide is COc1cccc(CCNC(=O)Cc2ccc(Oc3ccc(CC(=O)NCCc4ccc(OC)c(OC)c4)cn3)c(OC)c2)c1.
What is the InChIKey of 2-[4-[[5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-pyridinyl]oxy]-3-methoxyphenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is BFHPUFBPVPRTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39N3O7/c1-41-28-7-5-6-24(18-28)14-16-36-33(39)21-26-9-12-30(32(20-26)44-4)45-35-13-10-27(23-38-35)22-34(40)37-17-15-25-8-11-29(42-2)31(19-25)43-3/h5-13,18-20,23H,14-17,21-22H2,1-4H3,(H,36,39)(H,37,40).
What are the key properties of 2-[4-[[5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-pyridinyl]oxy]-3-methoxyphenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
2-[4-[[5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-pyridinyl]oxy]-3-methoxyphenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 613.71 g/mol, XLogP of 4.71, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-pyridinyl]oxy]-3-methoxyphenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 139479360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).