benzyl N-[2-oxo-1-[5-(3-phenylpropyl)tetrazol-1-yl]pentan-3-yl]carbamate

C23H27N5O3 — CID 18726147

IUPACbenzyl N-[2-oxo-1-[5-(3-phenylpropyl)tetrazol-1-yl]pentan-3-yl]carbamate
SMILESCCC(NC(=O)OCc1ccccc1)C(=O)Cn1nnnc1CCCc1ccccc1
InChIInChI=1S/C23H27N5O3/c1-2-20(24-23(30)31-17-19-12-7-4-8-13-19)21(29)16-28-22(25-26-27-28)15-9-14-18-10-5-3-6-11-18/h3-8,10-13,20H,2,9,14-17H2,1H3,(H,24,30)
InChIKeyRKFQGGMNKRYGTD-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.12
Rot. Bonds11

About benzyl N-[2-oxo-1-[5-(3-phenylpropyl)tetrazol-1-yl]pentan-3-yl]carbamate

benzyl N-[2-oxo-1-[5-(3-phenylpropyl)tetrazol-1-yl]pentan-3-yl]carbamate (PubChem CID 18726147) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is benzyl N-[2-oxo-1-[5-(3-phenylpropyl)tetrazol-1-yl]pentan-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-oxo-1-[5-(3-phenylpropyl)tetrazol-1-yl]pentan-3-yl]carbamate
PubChem CID18726147
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Namebenzyl N-[2-oxo-1-[5-(3-phenylpropyl)tetrazol-1-yl]pentan-3-yl]carbamate
SMILESCCC(NC(=O)OCc1ccccc1)C(=O)Cn1nnnc1CCCc1ccccc1
InChIInChI=1S/C23H27N5O3/c1-2-20(24-23(30)31-17-19-12-7-4-8-13-19)21(29)16-28-22(25-26-27-28)15-9-14-18-10-5-3-6-11-18/h3-8,10-13,20H,2,9,14-17H2,1H3,(H,24,30)
InChIKeyRKFQGGMNKRYGTD-UHFFFAOYSA-N
XLogP3.12
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

benzyl N-[1-[5-[2-(4-chlorophenyl)ethyl]tetrazol-1-yl]-2-oxopentan-3-yl]carbamate
CID 18726228
benzyl N-[(2S)-4-methyl-1-[[(3S)-5-methyl-2-oxo-1-[5-(3-phenylpropyl)tetrazol-1-yl]hexan-3-yl]amino]-1-oxopentan-2-yl]carbamate
CID 20791280
benzyl N-[2-oxo-1-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]pentan-3-yl]carbamate
CID 18726149
benzyl N-[2-oxo-1-[5-(4-propan-2-ylphenyl)sulfanyltetrazol-1-yl]pentan-3-yl]carbamate
CID 18726201
benzyl N-[2-oxo-1-[5-(2,4,6-trichlorophenyl)sulfanyltetrazol-1-yl]pentan-3-yl]carbamate
CID 18726139
benzyl N-[1-[5-(3-tert-butylphenoxy)tetrazol-1-yl]-2-oxopentan-3-yl]carbamate
CID 18726151
5-(5-ethylsulfonyltetrazol-1-yl)-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 23285476
4-oxo-3-(phenylmethoxycarbonylamino)-5-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]pentanoic acid
CID 22614638
5-(5-ethylsulfinyltetrazol-1-yl)-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 23285576
benzyl N-[(2S)-4-methyl-1-[[(3S)-5-methyl-2-oxo-1-[5-(2-pyridin-3-ylethyl)tetrazol-1-yl]hex-4-en-3-yl]amino]-1-oxopentan-2-yl]carbamate
CID 163815812
4-oxo-3-(phenylmethoxycarbonylamino)-5-(5-pyridin-4-yltetrazol-1-yl)pentanoic acid
CID 54038131
4-oxo-3-(phenylmethoxycarbonylamino)-5-(5-pyridin-4-yltetrazol-1-yl)pentanoic acid;hydrochloride
CID 70164625

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-oxo-1-[5-(3-phenylpropyl)tetrazol-1-yl]pentan-3-yl]carbamate?
The IUPAC name of benzyl N-[2-oxo-1-[5-(3-phenylpropyl)tetrazol-1-yl]pentan-3-yl]carbamate (CID 18726147) is benzyl N-[2-oxo-1-[5-(3-phenylpropyl)tetrazol-1-yl]pentan-3-yl]carbamate.
What is the SMILES notation for benzyl N-[2-oxo-1-[5-(3-phenylpropyl)tetrazol-1-yl]pentan-3-yl]carbamate?
The canonical SMILES for benzyl N-[2-oxo-1-[5-(3-phenylpropyl)tetrazol-1-yl]pentan-3-yl]carbamate is CCC(NC(=O)OCc1ccccc1)C(=O)Cn1nnnc1CCCc1ccccc1.
What is the InChIKey of benzyl N-[2-oxo-1-[5-(3-phenylpropyl)tetrazol-1-yl]pentan-3-yl]carbamate?
The InChIKey is RKFQGGMNKRYGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-2-20(24-23(30)31-17-19-12-7-4-8-13-19)21(29)16-28-22(25-26-27-28)15-9-14-18-10-5-3-6-11-18/h3-8,10-13,20H,2,9,14-17H2,1H3,(H,24,30).
What are the key properties of benzyl N-[2-oxo-1-[5-(3-phenylpropyl)tetrazol-1-yl]pentan-3-yl]carbamate?
benzyl N-[2-oxo-1-[5-(3-phenylpropyl)tetrazol-1-yl]pentan-3-yl]carbamate has a molecular weight of 421.50 g/mol, XLogP of 3.12, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-oxo-1-[5-(3-phenylpropyl)tetrazol-1-yl]pentan-3-yl]carbamate is sourced from PubChem (CID 18726147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).