benzyl N-[1-[[1-(benzotriazol-1-yloxy)-2-oxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

C25H31N5O5 — CID 22923228

IUPACbenzyl N-[1-[[1-(benzotriazol-1-yloxy)-2-oxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)COn1nnc2ccccc21
InChIInChI=1S/C25H31N5O5/c1-4-19(23(31)16-35-30-22-13-9-8-12-20(22)28-29-30)26-24(32)21(14-17(2)3)27-25(33)34-15-18-10-6-5-7-11-18/h5-13,17,19,21H,4,14-16H2,1-3H3,(H,26,32)(H,27,33)
InChIKeyQPOCKZIOZQZXGH-UHFFFAOYSA-N
MW481.55 g/mol
LogP2.66
Rot. Bonds12

About benzyl N-[1-[[1-(benzotriazol-1-yloxy)-2-oxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

benzyl N-[1-[[1-(benzotriazol-1-yloxy)-2-oxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 22923228) has the molecular formula C25H31N5O5 and a molecular weight of 481.55 g/mol. Its IUPAC name is benzyl N-[1-[[1-(benzotriazol-1-yloxy)-2-oxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[[1-(benzotriazol-1-yloxy)-2-oxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
PubChem CID22923228
Molecular FormulaC25H31N5O5
Molecular Weight481.55 g/mol
Exact Mass481.23
IUPAC Namebenzyl N-[1-[[1-(benzotriazol-1-yloxy)-2-oxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)COn1nnc2ccccc21
InChIInChI=1S/C25H31N5O5/c1-4-19(23(31)16-35-30-22-13-9-8-12-20(22)28-29-30)26-24(32)21(14-17(2)3)27-25(33)34-15-18-10-6-5-7-11-18/h5-13,17,19,21H,4,14-16H2,1-3H3,(H,26,32)(H,27,33)
InChIKeyQPOCKZIOZQZXGH-UHFFFAOYSA-N
XLogP2.66
TPSA124.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze benzyl N-[1-[[1-(benzotriazol-1-yloxy)-2-oxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[[1-(benzotriazol-1-yloxy)-2-oxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-[[1-(benzotriazol-1-yloxy)-2-oxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (CID 22923228) is benzyl N-[1-[[1-(benzotriazol-1-yloxy)-2-oxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-[[1-(benzotriazol-1-yloxy)-2-oxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-[[1-(benzotriazol-1-yloxy)-2-oxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate is CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)COn1nnc2ccccc21.
What is the InChIKey of benzyl N-[1-[[1-(benzotriazol-1-yloxy)-2-oxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is QPOCKZIOZQZXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O5/c1-4-19(23(31)16-35-30-22-13-9-8-12-20(22)28-29-30)26-24(32)21(14-17(2)3)27-25(33)34-15-18-10-6-5-7-11-18/h5-13,17,19,21H,4,14-16H2,1-3H3,(H,26,32)(H,27,33).
What are the key properties of benzyl N-[1-[[1-(benzotriazol-1-yloxy)-2-oxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
benzyl N-[1-[[1-(benzotriazol-1-yloxy)-2-oxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 481.55 g/mol, XLogP of 2.66, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[[1-(benzotriazol-1-yloxy)-2-oxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 22923228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).