N-[2-(tert-butylamino)ethyl]-2-[2-[2-[3-(2-methylpropyl)anilino]-2-oxoethoxy]ethoxy]acetamide

C22H37N3O4 — CID 144890144

IUPACN-[2-(tert-butylamino)ethyl]-2-[2-[2-[3-(2-methylpropyl)anilino]-2-oxoethoxy]ethoxy]acetamide
SMILESCC(C)Cc1cccc(NC(=O)COCCOCC(=O)NCCNC(C)(C)C)c1
InChIInChI=1S/C22H37N3O4/c1-17(2)13-18-7-6-8-19(14-18)25-21(27)16-29-12-11-28-15-20(26)23-9-10-24-22(3,4)5/h6-8,14,17,24H,9-13,15-16H2,1-5H3,(H,23,26)(H,25,27)
InChIKeyWWYVWDDLWWJPGJ-UHFFFAOYSA-N
MW407.56 g/mol
LogP2.36
Rot. Bonds13

About N-[2-(tert-butylamino)ethyl]-2-[2-[2-[3-(2-methylpropyl)anilino]-2-oxoethoxy]ethoxy]acetamide

N-[2-(tert-butylamino)ethyl]-2-[2-[2-[3-(2-methylpropyl)anilino]-2-oxoethoxy]ethoxy]acetamide (PubChem CID 144890144) has the molecular formula C22H37N3O4 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[2-(tert-butylamino)ethyl]-2-[2-[2-[3-(2-methylpropyl)anilino]-2-oxoethoxy]ethoxy]acetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)ethyl]-2-[2-[2-[3-(2-methylpropyl)anilino]-2-oxoethoxy]ethoxy]acetamide
PubChem CID144890144
Molecular FormulaC22H37N3O4
Molecular Weight407.56 g/mol
Exact Mass407.28
IUPAC NameN-[2-(tert-butylamino)ethyl]-2-[2-[2-[3-(2-methylpropyl)anilino]-2-oxoethoxy]ethoxy]acetamide
SMILESCC(C)Cc1cccc(NC(=O)COCCOCC(=O)NCCNC(C)(C)C)c1
InChIInChI=1S/C22H37N3O4/c1-17(2)13-18-7-6-8-19(14-18)25-21(27)16-29-12-11-28-15-20(26)23-9-10-24-22(3,4)5/h6-8,14,17,24H,9-13,15-16H2,1-5H3,(H,23,26)(H,25,27)
InChIKeyWWYVWDDLWWJPGJ-UHFFFAOYSA-N
XLogP2.36
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(tert-butylamino)ethyl]-2-[2-[2-[3-(2-methylpropyl)anilino]-2-oxoethoxy]ethoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-ethylphenyl)-2-phenylmethoxyacetamide;2-methyl-N-propylpropan-2-amine
CID 70392482
tert-butyl N-[3-[[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108921382
N-[3-(bromomethyl)phenyl]-2-propoxyacetamide
CID 107941211
3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide
CID 54927415
N-[3-(bromomethyl)phenyl]-2-ethoxyacetamide
CID 114307296
2-ethoxy-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 106910809
N'-tert-butyl-N-[3-(2-methoxyethoxymethyl)phenyl]ethane-1,2-diamine
CID 107445342
N-butyl-2-[2-[2-(3-ethylanilino)-2-oxoethoxy]ethoxy]acetamide;N-butyl-2-[2-[2-oxo-2-[4-(4-prop-1-enylphenyl)anilino]ethoxy]ethoxy]acetamide
CID 160658755
N-[3-[2-(tert-butylamino)-2-oxoethyl]phenyl]-2-methylpropanamide
CID 57199320
prop-2-enyl N-[3-(2-methylpropyl)phenyl]carbamate
CID 54220022
N-[3-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112604048
[2-(3-ethylanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734350

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)ethyl]-2-[2-[2-[3-(2-methylpropyl)anilino]-2-oxoethoxy]ethoxy]acetamide?
The IUPAC name of N-[2-(tert-butylamino)ethyl]-2-[2-[2-[3-(2-methylpropyl)anilino]-2-oxoethoxy]ethoxy]acetamide (CID 144890144) is N-[2-(tert-butylamino)ethyl]-2-[2-[2-[3-(2-methylpropyl)anilino]-2-oxoethoxy]ethoxy]acetamide.
What is the SMILES notation for N-[2-(tert-butylamino)ethyl]-2-[2-[2-[3-(2-methylpropyl)anilino]-2-oxoethoxy]ethoxy]acetamide?
The canonical SMILES for N-[2-(tert-butylamino)ethyl]-2-[2-[2-[3-(2-methylpropyl)anilino]-2-oxoethoxy]ethoxy]acetamide is CC(C)Cc1cccc(NC(=O)COCCOCC(=O)NCCNC(C)(C)C)c1.
What is the InChIKey of N-[2-(tert-butylamino)ethyl]-2-[2-[2-[3-(2-methylpropyl)anilino]-2-oxoethoxy]ethoxy]acetamide?
The InChIKey is WWYVWDDLWWJPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O4/c1-17(2)13-18-7-6-8-19(14-18)25-21(27)16-29-12-11-28-15-20(26)23-9-10-24-22(3,4)5/h6-8,14,17,24H,9-13,15-16H2,1-5H3,(H,23,26)(H,25,27).
What are the key properties of N-[2-(tert-butylamino)ethyl]-2-[2-[2-[3-(2-methylpropyl)anilino]-2-oxoethoxy]ethoxy]acetamide?
N-[2-(tert-butylamino)ethyl]-2-[2-[2-[3-(2-methylpropyl)anilino]-2-oxoethoxy]ethoxy]acetamide has a molecular weight of 407.56 g/mol, XLogP of 2.36, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)ethyl]-2-[2-[2-[3-(2-methylpropyl)anilino]-2-oxoethoxy]ethoxy]acetamide is sourced from PubChem (CID 144890144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).