benzyl N-[2-[(5-hydroxy-2,2-diphenylpentyl)amino]-2-oxoethyl]carbamate

C27H30N2O4 — CID 70101432

IUPACbenzyl N-[2-[(5-hydroxy-2,2-diphenylpentyl)amino]-2-oxoethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)NCC(CCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30N2O4/c30-18-10-17-27(23-13-6-2-7-14-23,24-15-8-3-9-16-24)21-29-25(31)19-28-26(32)33-20-22-11-4-1-5-12-22/h1-9,11-16,30H,10,17-21H2,(H,28,32)(H,29,31)
InChIKeyQITVHDKMNJSFFK-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.79
Rot. Bonds11

About benzyl N-[2-[(5-hydroxy-2,2-diphenylpentyl)amino]-2-oxoethyl]carbamate

benzyl N-[2-[(5-hydroxy-2,2-diphenylpentyl)amino]-2-oxoethyl]carbamate (PubChem CID 70101432) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is benzyl N-[2-[(5-hydroxy-2,2-diphenylpentyl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[(5-hydroxy-2,2-diphenylpentyl)amino]-2-oxoethyl]carbamate
PubChem CID70101432
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC Namebenzyl N-[2-[(5-hydroxy-2,2-diphenylpentyl)amino]-2-oxoethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)NCC(CCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30N2O4/c30-18-10-17-27(23-13-6-2-7-14-23,24-15-8-3-9-16-24)21-29-25(31)19-28-26(32)33-20-22-11-4-1-5-12-22/h1-9,11-16,30H,10,17-21H2,(H,28,32)(H,29,31)
InChIKeyQITVHDKMNJSFFK-UHFFFAOYSA-N
XLogP3.79
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]carbamate
CID 11449782
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CID 124845856
benzyl N-(2-aminoprop-2-enyl)carbamate
CID 146420722
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
benzyl N-[2-(5-tert-butyl-2-hydroxyanilino)-2-oxoethyl]carbamate
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benzyl N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126009561
benzyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate
CID 101435256
benzyl N-[2-(2-iodoanilino)-2-oxoethyl]carbamate
CID 18930613
calcium;bis(2-methyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoate);dihydrate
CID 139088616
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-(2,2-dimethylpropyl)carbamate
CID 10846637
methyl 3-[[2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoate
CID 118927964

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[(5-hydroxy-2,2-diphenylpentyl)amino]-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-[(5-hydroxy-2,2-diphenylpentyl)amino]-2-oxoethyl]carbamate (CID 70101432) is benzyl N-[2-[(5-hydroxy-2,2-diphenylpentyl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[(5-hydroxy-2,2-diphenylpentyl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-[(5-hydroxy-2,2-diphenylpentyl)amino]-2-oxoethyl]carbamate is O=C(CNC(=O)OCc1ccccc1)NCC(CCCO)(c1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[2-[(5-hydroxy-2,2-diphenylpentyl)amino]-2-oxoethyl]carbamate?
The InChIKey is QITVHDKMNJSFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4/c30-18-10-17-27(23-13-6-2-7-14-23,24-15-8-3-9-16-24)21-29-25(31)19-28-26(32)33-20-22-11-4-1-5-12-22/h1-9,11-16,30H,10,17-21H2,(H,28,32)(H,29,31).
What are the key properties of benzyl N-[2-[(5-hydroxy-2,2-diphenylpentyl)amino]-2-oxoethyl]carbamate?
benzyl N-[2-[(5-hydroxy-2,2-diphenylpentyl)amino]-2-oxoethyl]carbamate has a molecular weight of 446.55 g/mol, XLogP of 3.79, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[(5-hydroxy-2,2-diphenylpentyl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 70101432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).