benzyl N-[4-(4-butylphenyl)-3,4-dihydroxybutyl]carbamate

C22H29NO4 — CID 171888676

IUPACbenzyl N-[4-(4-butylphenyl)-3,4-dihydroxybutyl]carbamate
SMILESCCCCc1ccc(C(O)C(O)CCNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C22H29NO4/c1-2-3-7-17-10-12-19(13-11-17)21(25)20(24)14-15-23-22(26)27-16-18-8-5-4-6-9-18/h4-6,8-13,20-21,24-25H,2-3,7,14-16H2,1H3,(H,23,26)
InChIKeyOGZNTUIARBLHNP-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.74
Rot. Bonds10

About benzyl N-[4-(4-butylphenyl)-3,4-dihydroxybutyl]carbamate

benzyl N-[4-(4-butylphenyl)-3,4-dihydroxybutyl]carbamate (PubChem CID 171888676) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is benzyl N-[4-(4-butylphenyl)-3,4-dihydroxybutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(4-butylphenyl)-3,4-dihydroxybutyl]carbamate
PubChem CID171888676
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Namebenzyl N-[4-(4-butylphenyl)-3,4-dihydroxybutyl]carbamate
SMILESCCCCc1ccc(C(O)C(O)CCNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C22H29NO4/c1-2-3-7-17-10-12-19(13-11-17)21(25)20(24)14-15-23-22(26)27-16-18-8-5-4-6-9-18/h4-6,8-13,20-21,24-25H,2-3,7,14-16H2,1H3,(H,23,26)
InChIKeyOGZNTUIARBLHNP-UHFFFAOYSA-N
XLogP3.74
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3,4-dihydroxy-4-[4-(2-methylpropanoyl)phenyl]butyl]carbamate
CID 171889018
benzyl N-[3,4-dihydroxy-4-[4-(methylcarbamoyl)phenyl]butyl]carbamate
CID 171888918
benzyl N-[4-[4-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutyl]carbamate
CID 171888820
benzyl N-[4-(4-cyanophenyl)-3,4-dihydroxybutyl]carbamate
CID 171888151
benzyl N-(3,4-dihydroxy-4-pyrimidin-5-ylbutyl)carbamate
CID 171887825
benzyl N-[4-(3-chloro-4-methylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171887966
benzyl N-[4-(3-bromo-4-methylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171889497
benzyl N-[4-(2-fluoropyrimidin-5-yl)-3,4-dihydroxybutyl]carbamate
CID 171887865
benzyl N-[4-(1,3-dioxo-2-benzofuran-5-yl)-3,4-dihydroxybutyl]carbamate
CID 171889172
5-[1,2-dihydroxy-4-(phenylmethoxycarbonylamino)butyl]pyridine-2-carboxylic acid
CID 171888514
2-[5-[1,2-dihydroxy-4-(phenylmethoxycarbonylamino)butyl]-2-methoxyphenyl]acetic acid
CID 171889311
benzyl N-[4-(3-bromophenyl)-3,4-dihydroxybutyl]carbamate
CID 171889475

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(4-butylphenyl)-3,4-dihydroxybutyl]carbamate?
The IUPAC name of benzyl N-[4-(4-butylphenyl)-3,4-dihydroxybutyl]carbamate (CID 171888676) is benzyl N-[4-(4-butylphenyl)-3,4-dihydroxybutyl]carbamate.
What is the SMILES notation for benzyl N-[4-(4-butylphenyl)-3,4-dihydroxybutyl]carbamate?
The canonical SMILES for benzyl N-[4-(4-butylphenyl)-3,4-dihydroxybutyl]carbamate is CCCCc1ccc(C(O)C(O)CCNC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-[4-(4-butylphenyl)-3,4-dihydroxybutyl]carbamate?
The InChIKey is OGZNTUIARBLHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-2-3-7-17-10-12-19(13-11-17)21(25)20(24)14-15-23-22(26)27-16-18-8-5-4-6-9-18/h4-6,8-13,20-21,24-25H,2-3,7,14-16H2,1H3,(H,23,26).
What are the key properties of benzyl N-[4-(4-butylphenyl)-3,4-dihydroxybutyl]carbamate?
benzyl N-[4-(4-butylphenyl)-3,4-dihydroxybutyl]carbamate has a molecular weight of 371.48 g/mol, XLogP of 3.74, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(4-butylphenyl)-3,4-dihydroxybutyl]carbamate is sourced from PubChem (CID 171888676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).