tert-butyl 2-[acetyl(1-ethoxypropylcarbamoyl)amino]acetate

C14H26N2O5 — CID 134570103

IUPACtert-butyl 2-[acetyl(1-ethoxypropylcarbamoyl)amino]acetate
SMILESCCOC(CC)NC(=O)N(CC(=O)OC(C)(C)C)C(C)=O
InChIInChI=1S/C14H26N2O5/c1-7-11(20-8-2)15-13(19)16(10(3)17)9-12(18)21-14(4,5)6/h11H,7-9H2,1-6H3,(H,15,19)
InChIKeyYFTPJWJTHKTXFK-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.66
Rot. Bonds6

About tert-butyl 2-[acetyl(1-ethoxypropylcarbamoyl)amino]acetate

tert-butyl 2-[acetyl(1-ethoxypropylcarbamoyl)amino]acetate (PubChem CID 134570103) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is tert-butyl 2-[acetyl(1-ethoxypropylcarbamoyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[acetyl(1-ethoxypropylcarbamoyl)amino]acetate
PubChem CID134570103
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Nametert-butyl 2-[acetyl(1-ethoxypropylcarbamoyl)amino]acetate
SMILESCCOC(CC)NC(=O)N(CC(=O)OC(C)(C)C)C(C)=O
InChIInChI=1S/C14H26N2O5/c1-7-11(20-8-2)15-13(19)16(10(3)17)9-12(18)21-14(4,5)6/h11H,7-9H2,1-6H3,(H,15,19)
InChIKeyYFTPJWJTHKTXFK-UHFFFAOYSA-N
XLogP1.66
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]acetate
CID 146481149
tert-butyl 3,3-diethoxypropanoate
CID 13066056
bis(tert-butyl 3-oxobutanoate);bis(propan-2-ol);zirconium
CID 87234032
tert-butyl 2-[ethyl-[2-(methylamino)ethyl]amino]acetate
CID 123348622
methyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
CID 62028503
tert-butyl 2-[2,2-dimethylpropyl(propyl)amino]acetate
CID 159831109
tert-butyl 2-[2-aminopropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 23510744
tert-butyl 4-[butan-2-yl(2-methoxyethyl)amino]-4-oxobutanoate
CID 106707257
tert-butyl N-[1-(dimethylcarbamoylamino)propyl]-N-methylcarbamate
CID 139666952
tert-butyl N-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyheptoxy]carbamate
CID 90296833
tert-butyl 2-[amino(methyl)amino]acetate
CID 11805056
tert-butyl 3-[bis(2-ethoxy-2-oxoethyl)amino]-3-oxopropanoate
CID 142661565

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[acetyl(1-ethoxypropylcarbamoyl)amino]acetate?
The IUPAC name of tert-butyl 2-[acetyl(1-ethoxypropylcarbamoyl)amino]acetate (CID 134570103) is tert-butyl 2-[acetyl(1-ethoxypropylcarbamoyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[acetyl(1-ethoxypropylcarbamoyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[acetyl(1-ethoxypropylcarbamoyl)amino]acetate is CCOC(CC)NC(=O)N(CC(=O)OC(C)(C)C)C(C)=O.
What is the InChIKey of tert-butyl 2-[acetyl(1-ethoxypropylcarbamoyl)amino]acetate?
The InChIKey is YFTPJWJTHKTXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-7-11(20-8-2)15-13(19)16(10(3)17)9-12(18)21-14(4,5)6/h11H,7-9H2,1-6H3,(H,15,19).
What are the key properties of tert-butyl 2-[acetyl(1-ethoxypropylcarbamoyl)amino]acetate?
tert-butyl 2-[acetyl(1-ethoxypropylcarbamoyl)amino]acetate has a molecular weight of 302.37 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[acetyl(1-ethoxypropylcarbamoyl)amino]acetate is sourced from PubChem (CID 134570103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).