methyl N-[5-[2-(benzylamino)ethyl]-2-phenylmethoxyphenyl]carbamate

C24H26N2O3 — CID 71023999

IUPACmethyl N-[5-[2-(benzylamino)ethyl]-2-phenylmethoxyphenyl]carbamate
SMILESCOC(=O)Nc1cc(CCNCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C24H26N2O3/c1-28-24(27)26-22-16-19(14-15-25-17-20-8-4-2-5-9-20)12-13-23(22)29-18-21-10-6-3-7-11-21/h2-13,16,25H,14-15,17-18H2,1H3,(H,26,27)
InChIKeyXKQOQKIPFNKRPE-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.78
Rot. Bonds9

About methyl N-[5-[2-(benzylamino)ethyl]-2-phenylmethoxyphenyl]carbamate

methyl N-[5-[2-(benzylamino)ethyl]-2-phenylmethoxyphenyl]carbamate (PubChem CID 71023999) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is methyl N-[5-[2-(benzylamino)ethyl]-2-phenylmethoxyphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-[2-(benzylamino)ethyl]-2-phenylmethoxyphenyl]carbamate
PubChem CID71023999
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Namemethyl N-[5-[2-(benzylamino)ethyl]-2-phenylmethoxyphenyl]carbamate
SMILESCOC(=O)Nc1cc(CCNCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C24H26N2O3/c1-28-24(27)26-22-16-19(14-15-25-17-20-8-4-2-5-9-20)12-13-23(22)29-18-21-10-6-3-7-11-21/h2-13,16,25H,14-15,17-18H2,1H3,(H,26,27)
InChIKeyXKQOQKIPFNKRPE-UHFFFAOYSA-N
XLogP4.78
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl N-[5-(2-chloroethyl)-2-phenylmethoxyphenyl]carbamate
CID 10215615
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoic acid
CID 54328163
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine
CID 4719341
[5-[2-[2-(2-butyl-4-phenylmethoxyphenyl)ethylamino]ethyl]-2-phenylmethoxyphenyl]urea
CID 70412957
methyl 5-(butylaminomethyl)-2-phenylmethoxybenzoate
CID 171385082
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine
CID 4715731
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoate
CID 54325649
[4-[2-(methoxycarbonylamino)ethyl]-2-phenylmethoxyphenyl] N-methylcarbamate;hydrochloride
CID 173105062
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17367645
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17289851
N,N'-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]butane-1,4-diamine
CID 57403137
ethyl N-(5-acetyl-2-phenylmethoxyphenyl)carbamate
CID 21435529

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-[2-(benzylamino)ethyl]-2-phenylmethoxyphenyl]carbamate?
The IUPAC name of methyl N-[5-[2-(benzylamino)ethyl]-2-phenylmethoxyphenyl]carbamate (CID 71023999) is methyl N-[5-[2-(benzylamino)ethyl]-2-phenylmethoxyphenyl]carbamate.
What is the SMILES notation for methyl N-[5-[2-(benzylamino)ethyl]-2-phenylmethoxyphenyl]carbamate?
The canonical SMILES for methyl N-[5-[2-(benzylamino)ethyl]-2-phenylmethoxyphenyl]carbamate is COC(=O)Nc1cc(CCNCc2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of methyl N-[5-[2-(benzylamino)ethyl]-2-phenylmethoxyphenyl]carbamate?
The InChIKey is XKQOQKIPFNKRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-28-24(27)26-22-16-19(14-15-25-17-20-8-4-2-5-9-20)12-13-23(22)29-18-21-10-6-3-7-11-21/h2-13,16,25H,14-15,17-18H2,1H3,(H,26,27).
What are the key properties of methyl N-[5-[2-(benzylamino)ethyl]-2-phenylmethoxyphenyl]carbamate?
methyl N-[5-[2-(benzylamino)ethyl]-2-phenylmethoxyphenyl]carbamate has a molecular weight of 390.48 g/mol, XLogP of 4.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-[2-(benzylamino)ethyl]-2-phenylmethoxyphenyl]carbamate is sourced from PubChem (CID 71023999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).