2-(3-amino-3-methyl-2-oxobutoxy)-N-[2-[2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]acetamide

C22H45N3O5 — CID 143771811

IUPAC2-(3-amino-3-methyl-2-oxobutoxy)-N-[2-[2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]acetamide
SMILESCC(C)NCCC(C)(C)OCCC(C)(C)OCCNC(=O)COCC(=O)C(C)(C)N
InChIInChI=1S/C22H45N3O5/c1-17(2)24-11-9-20(3,4)29-13-10-21(5,6)30-14-12-25-19(27)16-28-15-18(26)22(7,8)23/h17,24H,9-16,23H2,1-8H3,(H,25,27)
InChIKeySZEBFMXVLUOBDZ-UHFFFAOYSA-N
MW431.62 g/mol
LogP1.79
Rot. Bonds17

About 2-(3-amino-3-methyl-2-oxobutoxy)-N-[2-[2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]acetamide

2-(3-amino-3-methyl-2-oxobutoxy)-N-[2-[2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]acetamide (PubChem CID 143771811) has the molecular formula C22H45N3O5 and a molecular weight of 431.62 g/mol. Its IUPAC name is 2-(3-amino-3-methyl-2-oxobutoxy)-N-[2-[2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-3-methyl-2-oxobutoxy)-N-[2-[2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]acetamide
PubChem CID143771811
Molecular FormulaC22H45N3O5
Molecular Weight431.62 g/mol
Exact Mass431.34
IUPAC Name2-(3-amino-3-methyl-2-oxobutoxy)-N-[2-[2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]acetamide
SMILESCC(C)NCCC(C)(C)OCCC(C)(C)OCCNC(=O)COCC(=O)C(C)(C)N
InChIInChI=1S/C22H45N3O5/c1-17(2)24-11-9-20(3,4)29-13-10-21(5,6)30-14-12-25-19(27)16-28-15-18(26)22(7,8)23/h17,24H,9-16,23H2,1-8H3,(H,25,27)
InChIKeySZEBFMXVLUOBDZ-UHFFFAOYSA-N
XLogP1.79
TPSA111.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.62
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[2-methyl-4-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]oxybutan-2-yl]-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutanamide
CID 170010587
N-[2-[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-6-methyl-5-oxoheptanamide
CID 166464920
2-[2-[[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]amino]-2-oxoethoxy]acetic acid
CID 89044576
2-[2-[[2-(3-amino-3-methylbutoxy)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid
CID 176675274
3,3-dimethyl-1-[2-(propan-2-ylamino)ethoxy]butan-2-one
CID 155040585
3,3-dimethyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]butanamide
CID 135224068
4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methyl-N-[2-[2-methyl-4-[2-methyl-5-[2-[2-methyl-4-(2,6,6-trimethyl-5-oxoheptan-2-yl)oxybutan-2-yl]oxyethylamino]-5-oxopentan-2-yl]oxybutan-2-yl]oxyethyl]pentanamide
CID 138710128
2-(methylamino)-5-[2-[2-methyl-4-(2-methyl-4-oxopentan-2-yl)oxybutan-2-yl]oxyethylamino]-5-oxopentanoic acid
CID 176958655
2-[2-[[2-methyl-4-(2-methylpentan-2-yloxy)butyl]amino]-2-oxoethoxy]acetic acid
CID 171795100
N-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]-2-(2-nitroso-2-oxoethoxy)acetamide
CID 134259952
N-[3-(aminomethoxy)-3-methylbutyl]-4-methylpentanamide
CID 138462196
3,3-dimethyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 167271345

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-3-methyl-2-oxobutoxy)-N-[2-[2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]acetamide?
The IUPAC name of 2-(3-amino-3-methyl-2-oxobutoxy)-N-[2-[2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]acetamide (CID 143771811) is 2-(3-amino-3-methyl-2-oxobutoxy)-N-[2-[2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]acetamide.
What is the SMILES notation for 2-(3-amino-3-methyl-2-oxobutoxy)-N-[2-[2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]acetamide?
The canonical SMILES for 2-(3-amino-3-methyl-2-oxobutoxy)-N-[2-[2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]acetamide is CC(C)NCCC(C)(C)OCCC(C)(C)OCCNC(=O)COCC(=O)C(C)(C)N.
What is the InChIKey of 2-(3-amino-3-methyl-2-oxobutoxy)-N-[2-[2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]acetamide?
The InChIKey is SZEBFMXVLUOBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N3O5/c1-17(2)24-11-9-20(3,4)29-13-10-21(5,6)30-14-12-25-19(27)16-28-15-18(26)22(7,8)23/h17,24H,9-16,23H2,1-8H3,(H,25,27).
What are the key properties of 2-(3-amino-3-methyl-2-oxobutoxy)-N-[2-[2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]acetamide?
2-(3-amino-3-methyl-2-oxobutoxy)-N-[2-[2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]acetamide has a molecular weight of 431.62 g/mol, XLogP of 1.79, 17 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-3-methyl-2-oxobutoxy)-N-[2-[2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]acetamide is sourced from PubChem (CID 143771811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).