N-[4-(diethylamino)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide

C21H29N3O2 — CID 109000949

IUPACN-[4-(diethylamino)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNCCc2cccc(OC)c2)cc1
InChIInChI=1S/C21H29N3O2/c1-4-24(5-2)19-11-9-18(10-12-19)23-21(25)16-22-14-13-17-7-6-8-20(15-17)26-3/h6-12,15,22H,4-5,13-14,16H2,1-3H3,(H,23,25)
InChIKeyVQNHWNQSFVDLTO-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.31
Rot. Bonds10

About N-[4-(diethylamino)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide

N-[4-(diethylamino)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide (PubChem CID 109000949) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
PubChem CID109000949
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[4-(diethylamino)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNCCc2cccc(OC)c2)cc1
InChIInChI=1S/C21H29N3O2/c1-4-24(5-2)19-11-9-18(10-12-19)23-21(25)16-22-14-13-17-7-6-8-20(15-17)26-3/h6-12,15,22H,4-5,13-14,16H2,1-3H3,(H,23,25)
InChIKeyVQNHWNQSFVDLTO-UHFFFAOYSA-N
XLogP3.31
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000927
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide
CID 113164764
N-(2,6-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000990
N-(2,3-dimethylphenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000898
N-[2,6-di(propan-2-yl)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000966
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 109001260
2-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997173
3-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109025532
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]-2-(3-methylphenyl)acetamide
CID 112983600
N'-(3,5-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948677
methyl 4-chloro-3-[[2-[2-(3-methoxyphenyl)ethylamino]acetyl]amino]benzoate
CID 109000946
methyl 4-[[2-[2-(3-chlorophenyl)ethylamino]acetyl]amino]benzoate
CID 59991850

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide (CID 109000949) is N-[4-(diethylamino)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide is CCN(CC)c1ccc(NC(=O)CNCCc2cccc(OC)c2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide?
The InChIKey is VQNHWNQSFVDLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-4-24(5-2)19-11-9-18(10-12-19)23-21(25)16-22-14-13-17-7-6-8-20(15-17)26-3/h6-12,15,22H,4-5,13-14,16H2,1-3H3,(H,23,25).
What are the key properties of N-[4-(diethylamino)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide?
N-[4-(diethylamino)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide has a molecular weight of 355.48 g/mol, XLogP of 3.31, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide is sourced from PubChem (CID 109000949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).