N-[3-(tert-butylamino)-1-[2-(3,3-dimethylbutoxy)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

C20H41N3O3 — CID 126579186

IUPACN-[3-(tert-butylamino)-1-[2-(3,3-dimethylbutoxy)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)CCOCCNC(=O)C(CNC(C)(C)C)NC(=O)C(C)(C)C
InChIInChI=1S/C20H41N3O3/c1-18(2,3)10-12-26-13-11-21-16(24)15(14-22-20(7,8)9)23-17(25)19(4,5)6/h15,22H,10-14H2,1-9H3,(H,21,24)(H,23,25)
InChIKeyLOXBBFASGBUHAD-UHFFFAOYSA-N
MW371.57 g/mol
LogP2.47
Rot. Bonds9

About N-[3-(tert-butylamino)-1-[2-(3,3-dimethylbutoxy)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

N-[3-(tert-butylamino)-1-[2-(3,3-dimethylbutoxy)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (PubChem CID 126579186) has the molecular formula C20H41N3O3 and a molecular weight of 371.57 g/mol. Its IUPAC name is N-[3-(tert-butylamino)-1-[2-(3,3-dimethylbutoxy)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-(tert-butylamino)-1-[2-(3,3-dimethylbutoxy)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
PubChem CID126579186
Molecular FormulaC20H41N3O3
Molecular Weight371.57 g/mol
Exact Mass371.31
IUPAC NameN-[3-(tert-butylamino)-1-[2-(3,3-dimethylbutoxy)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)CCOCCNC(=O)C(CNC(C)(C)C)NC(=O)C(C)(C)C
InChIInChI=1S/C20H41N3O3/c1-18(2,3)10-12-26-13-11-21-16(24)15(14-22-20(7,8)9)23-17(25)19(4,5)6/h15,22H,10-14H2,1-9H3,(H,21,24)(H,23,25)
InChIKeyLOXBBFASGBUHAD-UHFFFAOYSA-N
XLogP2.47
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide
CID 156551208
1-[2-(3,3-dimethylbutoxy)ethyl]-3-(2-methylpropyl)urea
CID 164775026
(2S)-N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-2-(4,4-dimethylpentanoylamino)-7,7-dimethyloctanamide
CID 166040073
N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide
CID 176614152
N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]propan-2-amine
CID 126671623
N-[(2S)-5,5-dimethyl-1-oxo-1-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]hexan-2-yl]-7,7-dimethyloctanamide
CID 167634411
3-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-(4,4-dimethylpentyl)propanamide
CID 166976016
methyl 2-acetamido-3-(3,3-dimethylbutoxy)propanoate
CID 66233558
N-[2-[2-[2-(tert-butylamino)-2-oxoethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide
CID 166717971
N-[4-(3,3-dimethylbutoxy)-2-methylbutan-2-yl]-2-methylpropanamide
CID 139317240
N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 168855315
N-(2-but-3-enoxyethyl)-2,2-dimethylpropanamide
CID 103855692

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylamino)-1-[2-(3,3-dimethylbutoxy)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-(tert-butylamino)-1-[2-(3,3-dimethylbutoxy)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (CID 126579186) is N-[3-(tert-butylamino)-1-[2-(3,3-dimethylbutoxy)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-(tert-butylamino)-1-[2-(3,3-dimethylbutoxy)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-(tert-butylamino)-1-[2-(3,3-dimethylbutoxy)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is CC(C)(C)CCOCCNC(=O)C(CNC(C)(C)C)NC(=O)C(C)(C)C.
What is the InChIKey of N-[3-(tert-butylamino)-1-[2-(3,3-dimethylbutoxy)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is LOXBBFASGBUHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3O3/c1-18(2,3)10-12-26-13-11-21-16(24)15(14-22-20(7,8)9)23-17(25)19(4,5)6/h15,22H,10-14H2,1-9H3,(H,21,24)(H,23,25).
What are the key properties of N-[3-(tert-butylamino)-1-[2-(3,3-dimethylbutoxy)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
N-[3-(tert-butylamino)-1-[2-(3,3-dimethylbutoxy)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 371.57 g/mol, XLogP of 2.47, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylamino)-1-[2-(3,3-dimethylbutoxy)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 126579186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).