benzyl N,N-bis[2-(4-aminophenoxy)ethyl]carbamate

C24H27N3O4 — CID 135223658

IUPACbenzyl N,N-bis[2-(4-aminophenoxy)ethyl]carbamate
SMILESNc1ccc(OCCN(CCOc2ccc(N)cc2)C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C24H27N3O4/c25-20-6-10-22(11-7-20)29-16-14-27(15-17-30-23-12-8-21(26)9-13-23)24(28)31-18-19-4-2-1-3-5-19/h1-13H,14-18,25-26H2
InChIKeyRKYZKYWJIAIBJC-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.95
Rot. Bonds10

About benzyl N,N-bis[2-(4-aminophenoxy)ethyl]carbamate

benzyl N,N-bis[2-(4-aminophenoxy)ethyl]carbamate (PubChem CID 135223658) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is benzyl N,N-bis[2-(4-aminophenoxy)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N,N-bis[2-(4-aminophenoxy)ethyl]carbamate
PubChem CID135223658
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Namebenzyl N,N-bis[2-(4-aminophenoxy)ethyl]carbamate
SMILESNc1ccc(OCCN(CCOc2ccc(N)cc2)C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C24H27N3O4/c25-20-6-10-22(11-7-20)29-16-14-27(15-17-30-23-12-8-21(26)9-13-23)24(28)31-18-19-4-2-1-3-5-19/h1-13H,14-18,25-26H2
InChIKeyRKYZKYWJIAIBJC-UHFFFAOYSA-N
XLogP3.95
TPSA100.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

benzyl N,N-bis(2-hydroxyethyl)carbamate
CID 23498447
4-phenylmethoxyaniline
CID 159966727
benzyl N,N-bis[2-(trifluoromethoxy)ethyl]carbamate
CID 121233905
2-(4-aminophenoxy)ethyl-methylcarbamic acid
CID 67422693
(2R)-2-ethoxy-3-[4-[2-[heptyl(phenylmethoxycarbonyl)amino]ethoxy]phenyl]propanoic acid
CID 12001958
3-[4-[2-[2-butoxyethyl(phenylmethoxycarbonyl)amino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22229723
2-ethoxy-3-[4-[2-[hexyl(phenylmethoxycarbonyl)amino]ethoxy]phenyl]propanoic acid
CID 22232267
2-[2-(4-aminophenoxy)ethyl-benzylamino]ethanol
CID 62114756
3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide
CID 61089874
1-benzyl-1-[2-[4-(4-hydroxyphenyl)phenoxy]ethyl]urea
CID 54400596
phenylmethoxymethyl 2-(4-aminophenoxy)acetate
CID 102940304
2-(4-amino-N-phenylmethoxycarbonylanilino)acetic acid
CID 18919523

Frequently Asked Questions

What is the IUPAC name of benzyl N,N-bis[2-(4-aminophenoxy)ethyl]carbamate?
The IUPAC name of benzyl N,N-bis[2-(4-aminophenoxy)ethyl]carbamate (CID 135223658) is benzyl N,N-bis[2-(4-aminophenoxy)ethyl]carbamate.
What is the SMILES notation for benzyl N,N-bis[2-(4-aminophenoxy)ethyl]carbamate?
The canonical SMILES for benzyl N,N-bis[2-(4-aminophenoxy)ethyl]carbamate is Nc1ccc(OCCN(CCOc2ccc(N)cc2)C(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N,N-bis[2-(4-aminophenoxy)ethyl]carbamate?
The InChIKey is RKYZKYWJIAIBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c25-20-6-10-22(11-7-20)29-16-14-27(15-17-30-23-12-8-21(26)9-13-23)24(28)31-18-19-4-2-1-3-5-19/h1-13H,14-18,25-26H2.
What are the key properties of benzyl N,N-bis[2-(4-aminophenoxy)ethyl]carbamate?
benzyl N,N-bis[2-(4-aminophenoxy)ethyl]carbamate has a molecular weight of 421.50 g/mol, XLogP of 3.95, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N,N-bis[2-(4-aminophenoxy)ethyl]carbamate is sourced from PubChem (CID 135223658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).