N-[2-(ethylamino)ethyl]-4-(3-methylbutoxy)benzamide

C16H26N2O2 — CID 119507309

IUPACN-[2-(ethylamino)ethyl]-4-(3-methylbutoxy)benzamide
SMILESCCNCCNC(=O)c1ccc(OCCC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-4-17-10-11-18-16(19)14-5-7-15(8-6-14)20-12-9-13(2)3/h5-8,13,17H,4,9-12H2,1-3H3,(H,18,19)
InChIKeySEJPZCJXRPOQPO-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.45
Rot. Bonds9

About N-[2-(ethylamino)ethyl]-4-(3-methylbutoxy)benzamide

N-[2-(ethylamino)ethyl]-4-(3-methylbutoxy)benzamide (PubChem CID 119507309) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-4-(3-methylbutoxy)benzamide
PubChem CID119507309
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[2-(ethylamino)ethyl]-4-(3-methylbutoxy)benzamide
SMILESCCNCCNC(=O)c1ccc(OCCC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-4-17-10-11-18-16(19)14-5-7-15(8-6-14)20-12-9-13(2)3/h5-8,13,17H,4,9-12H2,1-3H3,(H,18,19)
InChIKeySEJPZCJXRPOQPO-UHFFFAOYSA-N
XLogP2.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide
CID 78796548
2-[[4-(3-methylbutoxy)benzoyl]amino]acetate
CID 6944071
ethyl 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate
CID 4948251
4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465
N-butan-2-yl-4-(3-methylbutoxy)benzamide
CID 17137403
4-(3-methylbutoxy)-N-(propylcarbamothioyl)benzamide
CID 4949147
N-(3-amino-2-methylpropyl)-4-(3-methylbutoxy)benzamide;hydrochloride
CID 119996953
N-(3-hydroxypropyl)-4-(16-methylheptadecoxy)benzamide
CID 139715444
N-cyclopentyl-4-(3-methylbutoxy)benzamide
CID 4948351
4-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911086
3-[[4-(16-methylheptadecoxy)benzoyl]amino]propanoic acid
CID 139715406
N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177576

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-4-(3-methylbutoxy)benzamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-4-(3-methylbutoxy)benzamide (CID 119507309) is N-[2-(ethylamino)ethyl]-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-4-(3-methylbutoxy)benzamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-4-(3-methylbutoxy)benzamide is CCNCCNC(=O)c1ccc(OCCC(C)C)cc1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-4-(3-methylbutoxy)benzamide?
The InChIKey is SEJPZCJXRPOQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-17-10-11-18-16(19)14-5-7-15(8-6-14)20-12-9-13(2)3/h5-8,13,17H,4,9-12H2,1-3H3,(H,18,19).
What are the key properties of N-[2-(ethylamino)ethyl]-4-(3-methylbutoxy)benzamide?
N-[2-(ethylamino)ethyl]-4-(3-methylbutoxy)benzamide has a molecular weight of 278.40 g/mol, XLogP of 2.45, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 119507309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).