2-aminoethyl-[(3-methoxy-4-phenylmethoxyphenyl)-phenylmethyl]carbamic acid

C24H26N2O4 — CID 69394219

IUPAC2-aminoethyl-[(3-methoxy-4-phenylmethoxyphenyl)-phenylmethyl]carbamic acid
SMILESCOc1cc(C(c2ccccc2)N(CCN)C(=O)O)ccc1OCc1ccccc1
InChIInChI=1S/C24H26N2O4/c1-29-22-16-20(12-13-21(22)30-17-18-8-4-2-5-9-18)23(19-10-6-3-7-11-19)26(15-14-25)24(27)28/h2-13,16,23H,14-15,17,25H2,1H3,(H,27,28)
InChIKeyNQYLFSFBNAHENK-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.30
Rot. Bonds9

About 2-aminoethyl-[(3-methoxy-4-phenylmethoxyphenyl)-phenylmethyl]carbamic acid

2-aminoethyl-[(3-methoxy-4-phenylmethoxyphenyl)-phenylmethyl]carbamic acid (PubChem CID 69394219) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 2-aminoethyl-[(3-methoxy-4-phenylmethoxyphenyl)-phenylmethyl]carbamic acid.

Molecular Properties

Compound Name2-aminoethyl-[(3-methoxy-4-phenylmethoxyphenyl)-phenylmethyl]carbamic acid
PubChem CID69394219
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name2-aminoethyl-[(3-methoxy-4-phenylmethoxyphenyl)-phenylmethyl]carbamic acid
SMILESCOc1cc(C(c2ccccc2)N(CCN)C(=O)O)ccc1OCc1ccccc1
InChIInChI=1S/C24H26N2O4/c1-29-22-16-20(12-13-21(22)30-17-18-8-4-2-5-9-18)23(19-10-6-3-7-11-19)26(15-14-25)24(27)28/h2-13,16,23H,14-15,17,25H2,1H3,(H,27,28)
InChIKeyNQYLFSFBNAHENK-UHFFFAOYSA-N
XLogP4.30
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate
CID 71214789
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
3-amino-1-(3-methoxy-4-phenylmethoxyphenyl)propane-1,2-diol
CID 170829202
4-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide
CID 119288244
ethyl 2-[benzyl-[(3,4-dimethoxyphenyl)-phenylmethyl]amino]propanoate
CID 134868833
(S)-(3-methoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methanol
CID 129384165
(1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171244475
ethyl 2-[benzyl-[(3,4-dimethoxyphenyl)-phenylmethyl]amino]acetate
CID 134869017
N-(2-aminoethyl)-3-chloro-N-(1-phenylethyl)-4-phenylmethoxybenzamide
CID 71215029
1-(2-aminoethyl)-3-benzyl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 71175731
1-(3-methoxy-4-phenylmethoxyphenyl)prop-2-yn-1-ol
CID 15888378
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)-3-methylbutan-1-amine
CID 171234157

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl-[(3-methoxy-4-phenylmethoxyphenyl)-phenylmethyl]carbamic acid?
The IUPAC name of 2-aminoethyl-[(3-methoxy-4-phenylmethoxyphenyl)-phenylmethyl]carbamic acid (CID 69394219) is 2-aminoethyl-[(3-methoxy-4-phenylmethoxyphenyl)-phenylmethyl]carbamic acid.
What is the SMILES notation for 2-aminoethyl-[(3-methoxy-4-phenylmethoxyphenyl)-phenylmethyl]carbamic acid?
The canonical SMILES for 2-aminoethyl-[(3-methoxy-4-phenylmethoxyphenyl)-phenylmethyl]carbamic acid is COc1cc(C(c2ccccc2)N(CCN)C(=O)O)ccc1OCc1ccccc1.
What is the InChIKey of 2-aminoethyl-[(3-methoxy-4-phenylmethoxyphenyl)-phenylmethyl]carbamic acid?
The InChIKey is NQYLFSFBNAHENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-29-22-16-20(12-13-21(22)30-17-18-8-4-2-5-9-18)23(19-10-6-3-7-11-19)26(15-14-25)24(27)28/h2-13,16,23H,14-15,17,25H2,1H3,(H,27,28).
What are the key properties of 2-aminoethyl-[(3-methoxy-4-phenylmethoxyphenyl)-phenylmethyl]carbamic acid?
2-aminoethyl-[(3-methoxy-4-phenylmethoxyphenyl)-phenylmethyl]carbamic acid has a molecular weight of 406.48 g/mol, XLogP of 4.30, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl-[(3-methoxy-4-phenylmethoxyphenyl)-phenylmethyl]carbamic acid is sourced from PubChem (CID 69394219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).