benzyl N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate

C25H28N2O4 — CID 71214789

IUPACbenzyl N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate
SMILESCOc1cc(CN(CCN)C(=O)OCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C25H28N2O4/c1-29-24-16-22(12-13-23(24)30-18-20-8-4-2-5-9-20)17-27(15-14-26)25(28)31-19-21-10-6-3-7-11-21/h2-13,16H,14-15,17-19,26H2,1H3
InChIKeyOESDDZMUZMMZLT-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.37
Rot. Bonds10

About benzyl N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate

benzyl N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate (PubChem CID 71214789) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is benzyl N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate
PubChem CID71214789
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Namebenzyl N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate
SMILESCOc1cc(CN(CCN)C(=O)OCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C25H28N2O4/c1-29-24-16-22(12-13-23(24)30-18-20-8-4-2-5-9-20)17-27(15-14-26)25(28)31-19-21-10-6-3-7-11-21/h2-13,16H,14-15,17-19,26H2,1H3
InChIKeyOESDDZMUZMMZLT-UHFFFAOYSA-N
XLogP4.37
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-3-benzyl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 71175731
ethyl N-(2-aminoethyl)-N-[(3,4-dimethoxyphenyl)methyl]carbamate
CID 124908731
2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
CID 8694017
2-chloro-N-(3,3-diphenylpropyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide
CID 42704911
ethyl 3-[benzyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]amino]propanoate
CID 3541865
1,3-dibutyl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 42705085
N-(2-aminoethyl)-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-methylbenzamide;2,2,2-trifluoroacetic acid
CID 143211578
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 4562686
N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethanamine
CID 2845777
3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581
bis[2-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]phenoxy] carbonate
CID 90151087
4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid
CID 117484134

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate?
The IUPAC name of benzyl N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate (CID 71214789) is benzyl N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate.
What is the SMILES notation for benzyl N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate?
The canonical SMILES for benzyl N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate is COc1cc(CN(CCN)C(=O)OCc2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of benzyl N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate?
The InChIKey is OESDDZMUZMMZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-29-24-16-22(12-13-23(24)30-18-20-8-4-2-5-9-20)17-27(15-14-26)25(28)31-19-21-10-6-3-7-11-21/h2-13,16H,14-15,17-19,26H2,1H3.
What are the key properties of benzyl N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate?
benzyl N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate has a molecular weight of 420.51 g/mol, XLogP of 4.37, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate is sourced from PubChem (CID 71214789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).