tert-butyl N-[1-[(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate

C21H34N4O5 — CID 3103019

IUPACtert-butyl N-[1-[(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate
SMILESCC(C)CC(NC(=O)C(COCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NN
InChIInChI=1S/C21H34N4O5/c1-14(2)11-16(19(27)25-22)23-18(26)17(24-20(28)30-21(3,4)5)13-29-12-15-9-7-6-8-10-15/h6-10,14,16-17H,11-13,22H2,1-5H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyIYCZMJMNVSEOOM-UHFFFAOYSA-N
MW422.53 g/mol
LogP1.62
Rot. Bonds10

About tert-butyl N-[1-[(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate

tert-butyl N-[1-[(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate (PubChem CID 3103019) has the molecular formula C21H34N4O5 and a molecular weight of 422.53 g/mol. Its IUPAC name is tert-butyl N-[1-[(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate
PubChem CID3103019
Molecular FormulaC21H34N4O5
Molecular Weight422.53 g/mol
Exact Mass422.25
IUPAC Nametert-butyl N-[1-[(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate
SMILESCC(C)CC(NC(=O)C(COCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NN
InChIInChI=1S/C21H34N4O5/c1-14(2)11-16(19(27)25-22)23-18(26)17(24-20(28)30-21(3,4)5)13-29-12-15-9-7-6-8-10-15/h6-10,14,16-17H,11-13,22H2,1-5H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyIYCZMJMNVSEOOM-UHFFFAOYSA-N
XLogP1.62
TPSA131.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate (CID 3103019) is tert-butyl N-[1-[(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate is CC(C)CC(NC(=O)C(COCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NN.
What is the InChIKey of tert-butyl N-[1-[(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate?
The InChIKey is IYCZMJMNVSEOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O5/c1-14(2)11-16(19(27)25-22)23-18(26)17(24-20(28)30-21(3,4)5)13-29-12-15-9-7-6-8-10-15/h6-10,14,16-17H,11-13,22H2,1-5H3,(H,23,26)(H,24,28)(H,25,27).
What are the key properties of tert-butyl N-[1-[(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate?
tert-butyl N-[1-[(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate has a molecular weight of 422.53 g/mol, XLogP of 1.62, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate is sourced from PubChem (CID 3103019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).