2-hydroxyethyl N-[1-(2-benzyldecylamino)ethyl]carbamate

C22H38N2O3 — CID 22067466

IUPAC2-hydroxyethyl N-[1-(2-benzyldecylamino)ethyl]carbamate
SMILESCCCCCCCCC(CNC(C)NC(=O)OCCO)Cc1ccccc1
InChIInChI=1S/C22H38N2O3/c1-3-4-5-6-7-9-14-21(17-20-12-10-8-11-13-20)18-23-19(2)24-22(26)27-16-15-25/h8,10-13,19,21,23,25H,3-7,9,14-18H2,1-2H3,(H,24,26)
InChIKeyYZYDUCQYFBYCLF-UHFFFAOYSA-N
MW378.56 g/mol
LogP4.25
Rot. Bonds15

About 2-hydroxyethyl N-[1-(2-benzyldecylamino)ethyl]carbamate

2-hydroxyethyl N-[1-(2-benzyldecylamino)ethyl]carbamate (PubChem CID 22067466) has the molecular formula C22H38N2O3 and a molecular weight of 378.56 g/mol. Its IUPAC name is 2-hydroxyethyl N-[1-(2-benzyldecylamino)ethyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[1-(2-benzyldecylamino)ethyl]carbamate
PubChem CID22067466
Molecular FormulaC22H38N2O3
Molecular Weight378.56 g/mol
Exact Mass378.29
IUPAC Name2-hydroxyethyl N-[1-(2-benzyldecylamino)ethyl]carbamate
SMILESCCCCCCCCC(CNC(C)NC(=O)OCCO)Cc1ccccc1
InChIInChI=1S/C22H38N2O3/c1-3-4-5-6-7-9-14-21(17-20-12-10-8-11-13-20)18-23-19(2)24-22(26)27-16-15-25/h8,10-13,19,21,23,25H,3-7,9,14-18H2,1-2H3,(H,24,26)
InChIKeyYZYDUCQYFBYCLF-UHFFFAOYSA-N
XLogP4.25
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-benzylpentadecan-1-ol
CID 174933241
3-benzylheptadecan-1-ol
CID 70425860
2-benzyl-N-propan-2-ylhexan-1-amine
CID 62528462
2-benzyl-N-methyldecan-1-amine
CID 63498488
2-benzyloctadecan-1-ol
CID 67814123
N-(2-benzylheptyl)-4-methylpentanamide
CID 176730327
2-benzyltetradecylbenzene
CID 22920205
butyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 151882072
nonyl 3-phenyl-2-(propoxycarbonylamino)propanoate
CID 6423362
benzyl N-(1-hydroxyoctan-3-yl)carbamate
CID 121391580
[3-[2-(2-benzyldecylamino)ethylcarbamoyloxy]-2-hydroxypropyl] 2-methylpropanoate
CID 54504792
methyl 6-benzylundecanoate
CID 58960739

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[1-(2-benzyldecylamino)ethyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[1-(2-benzyldecylamino)ethyl]carbamate (CID 22067466) is 2-hydroxyethyl N-[1-(2-benzyldecylamino)ethyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[1-(2-benzyldecylamino)ethyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[1-(2-benzyldecylamino)ethyl]carbamate is CCCCCCCCC(CNC(C)NC(=O)OCCO)Cc1ccccc1.
What is the InChIKey of 2-hydroxyethyl N-[1-(2-benzyldecylamino)ethyl]carbamate?
The InChIKey is YZYDUCQYFBYCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O3/c1-3-4-5-6-7-9-14-21(17-20-12-10-8-11-13-20)18-23-19(2)24-22(26)27-16-15-25/h8,10-13,19,21,23,25H,3-7,9,14-18H2,1-2H3,(H,24,26).
What are the key properties of 2-hydroxyethyl N-[1-(2-benzyldecylamino)ethyl]carbamate?
2-hydroxyethyl N-[1-(2-benzyldecylamino)ethyl]carbamate has a molecular weight of 378.56 g/mol, XLogP of 4.25, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[1-(2-benzyldecylamino)ethyl]carbamate is sourced from PubChem (CID 22067466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).