2-hydroxyethyl N-[2-[1-(4-methoxyphenyl)tridecylamino]ethyl]carbamate

C25H44N2O4 — CID 54321940

IUPAC2-hydroxyethyl N-[2-[1-(4-methoxyphenyl)tridecylamino]ethyl]carbamate
SMILESCCCCCCCCCCCCC(NCCNC(=O)OCCO)c1ccc(OC)cc1
InChIInChI=1S/C25H44N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-24(22-14-16-23(30-2)17-15-22)26-18-19-27-25(29)31-21-20-28/h14-17,24,26,28H,3-13,18-21H2,1-2H3,(H,27,29)
InChIKeySSGYFUSNJOBGNY-UHFFFAOYSA-N
MW436.64 g/mol
LogP5.36
Rot. Bonds19

About 2-hydroxyethyl N-[2-[1-(4-methoxyphenyl)tridecylamino]ethyl]carbamate

2-hydroxyethyl N-[2-[1-(4-methoxyphenyl)tridecylamino]ethyl]carbamate (PubChem CID 54321940) has the molecular formula C25H44N2O4 and a molecular weight of 436.64 g/mol. Its IUPAC name is 2-hydroxyethyl N-[2-[1-(4-methoxyphenyl)tridecylamino]ethyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[2-[1-(4-methoxyphenyl)tridecylamino]ethyl]carbamate
PubChem CID54321940
Molecular FormulaC25H44N2O4
Molecular Weight436.64 g/mol
Exact Mass436.33
IUPAC Name2-hydroxyethyl N-[2-[1-(4-methoxyphenyl)tridecylamino]ethyl]carbamate
SMILESCCCCCCCCCCCCC(NCCNC(=O)OCCO)c1ccc(OC)cc1
InChIInChI=1S/C25H44N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-24(22-14-16-23(30-2)17-15-22)26-18-19-27-25(29)31-21-20-28/h14-17,24,26,28H,3-13,18-21H2,1-2H3,(H,27,29)
InChIKeySSGYFUSNJOBGNY-UHFFFAOYSA-N
XLogP5.36
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.64
LogP ≤ 55.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)heptylhydrazine
CID 105190916
2-hydroxyethyl N-heptylcarbamate
CID 124705283
N-butyl-1-[4-[2-[4-[1-(butylamino)hexyl]phenoxy]ethoxy]phenyl]hexan-1-amine
CID 44531492
1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161012
5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol
CID 113350455
1-(4-ethoxyphenyl)-N-propyloctan-1-amine
CID 43495169
1-(4-butoxyphenyl)-N-ethylheptan-1-amine
CID 105125826
2-amino-N-[1-(4-methoxyphenyl)pentyl]acetamide;hydrochloride
CID 119318115
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
1-(3,4-dimethoxyphenyl)-N-propylheptan-1-amine
CID 63414063
N,N'-dihexyl-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 45262997
hexadecyl N-(4-methoxyphenyl)carbamate
CID 46229876

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[2-[1-(4-methoxyphenyl)tridecylamino]ethyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[2-[1-(4-methoxyphenyl)tridecylamino]ethyl]carbamate (CID 54321940) is 2-hydroxyethyl N-[2-[1-(4-methoxyphenyl)tridecylamino]ethyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[2-[1-(4-methoxyphenyl)tridecylamino]ethyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[2-[1-(4-methoxyphenyl)tridecylamino]ethyl]carbamate is CCCCCCCCCCCCC(NCCNC(=O)OCCO)c1ccc(OC)cc1.
What is the InChIKey of 2-hydroxyethyl N-[2-[1-(4-methoxyphenyl)tridecylamino]ethyl]carbamate?
The InChIKey is SSGYFUSNJOBGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-24(22-14-16-23(30-2)17-15-22)26-18-19-27-25(29)31-21-20-28/h14-17,24,26,28H,3-13,18-21H2,1-2H3,(H,27,29).
What are the key properties of 2-hydroxyethyl N-[2-[1-(4-methoxyphenyl)tridecylamino]ethyl]carbamate?
2-hydroxyethyl N-[2-[1-(4-methoxyphenyl)tridecylamino]ethyl]carbamate has a molecular weight of 436.64 g/mol, XLogP of 5.36, 19 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[2-[1-(4-methoxyphenyl)tridecylamino]ethyl]carbamate is sourced from PubChem (CID 54321940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).