(4-methoxyphenyl)methyl N-[3-[[4-(aminomethyl)phenyl]methoxy]-4-methoxybenzoyl]carbamate

C25H26N2O6 — CID 57151569

IUPAC(4-methoxyphenyl)methyl N-[3-[[4-(aminomethyl)phenyl]methoxy]-4-methoxybenzoyl]carbamate
SMILESCOc1ccc(COC(=O)NC(=O)c2ccc(OC)c(OCc3ccc(CN)cc3)c2)cc1
InChIInChI=1S/C25H26N2O6/c1-30-21-10-7-19(8-11-21)16-33-25(29)27-24(28)20-9-12-22(31-2)23(13-20)32-15-18-5-3-17(14-26)4-6-18/h3-13H,14-16,26H2,1-2H3,(H,27,28,29)
InChIKeyDCAXOAZBSDPJKW-UHFFFAOYSA-N
MW450.49 g/mol
LogP3.81
Rot. Bonds9

About (4-methoxyphenyl)methyl N-[3-[[4-(aminomethyl)phenyl]methoxy]-4-methoxybenzoyl]carbamate

(4-methoxyphenyl)methyl N-[3-[[4-(aminomethyl)phenyl]methoxy]-4-methoxybenzoyl]carbamate (PubChem CID 57151569) has the molecular formula C25H26N2O6 and a molecular weight of 450.49 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl N-[3-[[4-(aminomethyl)phenyl]methoxy]-4-methoxybenzoyl]carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl N-[3-[[4-(aminomethyl)phenyl]methoxy]-4-methoxybenzoyl]carbamate
PubChem CID57151569
Molecular FormulaC25H26N2O6
Molecular Weight450.49 g/mol
Exact Mass450.18
IUPAC Name(4-methoxyphenyl)methyl N-[3-[[4-(aminomethyl)phenyl]methoxy]-4-methoxybenzoyl]carbamate
SMILESCOc1ccc(COC(=O)NC(=O)c2ccc(OC)c(OCc3ccc(CN)cc3)c2)cc1
InChIInChI=1S/C25H26N2O6/c1-30-21-10-7-19(8-11-21)16-33-25(29)27-24(28)20-9-12-22(31-2)23(13-20)32-15-18-5-3-17(14-26)4-6-18/h3-13H,14-16,26H2,1-2H3,(H,27,28,29)
InChIKeyDCAXOAZBSDPJKW-UHFFFAOYSA-N
XLogP3.81
TPSA109.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(4-methoxyphenyl)methyl N-[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxybenzoyl]carbamate
CID 57050965
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
2-[[3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]amino]acetic acid
CID 175227608
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
(4-methoxyphenyl)methyl N-[(3-chlorobenzoyl)amino]carbamate
CID 870443
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
4-amino-3-[(4-methoxyphenyl)methoxy]benzamide
CID 63356500
(4-methoxyphenyl)methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 142526842
methyl 4-amino-3-[(4-methoxyphenyl)methoxy]benzoate
CID 43380178
4-[(2-amino-4-methoxyphenoxy)methyl]benzamide
CID 24689715

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl N-[3-[[4-(aminomethyl)phenyl]methoxy]-4-methoxybenzoyl]carbamate?
The IUPAC name of (4-methoxyphenyl)methyl N-[3-[[4-(aminomethyl)phenyl]methoxy]-4-methoxybenzoyl]carbamate (CID 57151569) is (4-methoxyphenyl)methyl N-[3-[[4-(aminomethyl)phenyl]methoxy]-4-methoxybenzoyl]carbamate.
What is the SMILES notation for (4-methoxyphenyl)methyl N-[3-[[4-(aminomethyl)phenyl]methoxy]-4-methoxybenzoyl]carbamate?
The canonical SMILES for (4-methoxyphenyl)methyl N-[3-[[4-(aminomethyl)phenyl]methoxy]-4-methoxybenzoyl]carbamate is COc1ccc(COC(=O)NC(=O)c2ccc(OC)c(OCc3ccc(CN)cc3)c2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl N-[3-[[4-(aminomethyl)phenyl]methoxy]-4-methoxybenzoyl]carbamate?
The InChIKey is DCAXOAZBSDPJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O6/c1-30-21-10-7-19(8-11-21)16-33-25(29)27-24(28)20-9-12-22(31-2)23(13-20)32-15-18-5-3-17(14-26)4-6-18/h3-13H,14-16,26H2,1-2H3,(H,27,28,29).
What are the key properties of (4-methoxyphenyl)methyl N-[3-[[4-(aminomethyl)phenyl]methoxy]-4-methoxybenzoyl]carbamate?
(4-methoxyphenyl)methyl N-[3-[[4-(aminomethyl)phenyl]methoxy]-4-methoxybenzoyl]carbamate has a molecular weight of 450.49 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl N-[3-[[4-(aminomethyl)phenyl]methoxy]-4-methoxybenzoyl]carbamate is sourced from PubChem (CID 57151569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).