N-[2-[[4-(diethylamino)-3-ethoxyphenyl]methylamino]ethyl]acetamide

C17H29N3O2 — CID 84749361

IUPACN-[2-[[4-(diethylamino)-3-ethoxyphenyl]methylamino]ethyl]acetamide
SMILESCCOc1cc(CNCCNC(C)=O)ccc1N(CC)CC
InChIInChI=1S/C17H29N3O2/c1-5-20(6-2)16-9-8-15(12-17(16)22-7-3)13-18-10-11-19-14(4)21/h8-9,12,18H,5-7,10-11,13H2,1-4H3,(H,19,21)
InChIKeyXUZWXTLMSJYOCE-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.16
Rot. Bonds10

About N-[2-[[4-(diethylamino)-3-ethoxyphenyl]methylamino]ethyl]acetamide

N-[2-[[4-(diethylamino)-3-ethoxyphenyl]methylamino]ethyl]acetamide (PubChem CID 84749361) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[2-[[4-(diethylamino)-3-ethoxyphenyl]methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-(diethylamino)-3-ethoxyphenyl]methylamino]ethyl]acetamide
PubChem CID84749361
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC NameN-[2-[[4-(diethylamino)-3-ethoxyphenyl]methylamino]ethyl]acetamide
SMILESCCOc1cc(CNCCNC(C)=O)ccc1N(CC)CC
InChIInChI=1S/C17H29N3O2/c1-5-20(6-2)16-9-8-15(12-17(16)22-7-3)13-18-10-11-19-14(4)21/h8-9,12,18H,5-7,10-11,13H2,1-4H3,(H,19,21)
InChIKeyXUZWXTLMSJYOCE-UHFFFAOYSA-N
XLogP2.16
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[butyl(ethyl)amino]-3-ethoxyphenyl]methylamino]acetic acid
CID 84748733
3-[2-[(3-ethoxy-4-hydroxyphenyl)methylamino]ethyl]-1,1-dimethylurea
CID 83110402
N-[2-[(3-methoxy-4-propoxyphenyl)methylamino]ethyl]acetamide
CID 82364748
N-[[4-(dimethylamino)-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 84749573
3-[2-ethoxy-4-(ethylaminomethyl)-N-propylanilino]propanoic acid
CID 84749909
methyl 4-(diethylamino)-3-ethoxybenzoate
CID 168966387
2-ethoxy-4-[(3-ethoxypropylamino)methyl]-N,N-dimethylaniline
CID 84749569
2-[2-ethoxy-4-(ethylaminomethyl)-N-methylanilino]acetic acid
CID 84749434
N,N-diethyl-4-(ethylaminomethyl)-2-propan-2-yloxyaniline
CID 84750453
3-[2-ethoxy-4-(ethylaminomethyl)-N-methylanilino]propanoic acid
CID 84749809
N-butyl-2-ethoxy-N-ethyl-4-(methylaminomethyl)aniline
CID 84754802
N-butyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline
CID 84749591

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(diethylamino)-3-ethoxyphenyl]methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[4-(diethylamino)-3-ethoxyphenyl]methylamino]ethyl]acetamide (CID 84749361) is N-[2-[[4-(diethylamino)-3-ethoxyphenyl]methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[4-(diethylamino)-3-ethoxyphenyl]methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[4-(diethylamino)-3-ethoxyphenyl]methylamino]ethyl]acetamide is CCOc1cc(CNCCNC(C)=O)ccc1N(CC)CC.
What is the InChIKey of N-[2-[[4-(diethylamino)-3-ethoxyphenyl]methylamino]ethyl]acetamide?
The InChIKey is XUZWXTLMSJYOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-5-20(6-2)16-9-8-15(12-17(16)22-7-3)13-18-10-11-19-14(4)21/h8-9,12,18H,5-7,10-11,13H2,1-4H3,(H,19,21).
What are the key properties of N-[2-[[4-(diethylamino)-3-ethoxyphenyl]methylamino]ethyl]acetamide?
N-[2-[[4-(diethylamino)-3-ethoxyphenyl]methylamino]ethyl]acetamide has a molecular weight of 307.44 g/mol, XLogP of 2.16, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(diethylamino)-3-ethoxyphenyl]methylamino]ethyl]acetamide is sourced from PubChem (CID 84749361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).