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

C25H26N2O6 — CID 57050965

IUPAC(4-methoxyphenyl)methyl N-[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxybenzoyl]carbamate
SMILESCOc1ccc(COC(=O)NC(=O)c2ccc(OCc3ccc(CN)cc3)c(OC)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(23(13-20)31-2)32-15-18-5-3-17(14-26)4-6-18/h3-13H,14-16,26H2,1-2H3,(H,27,28,29)
InChIKeyMIPCNACXGLWNLQ-UHFFFAOYSA-N
MW450.49 g/mol
LogP3.81
Rot. Bonds9

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

(4-methoxyphenyl)methyl N-[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxybenzoyl]carbamate (PubChem CID 57050965) has the molecular formula C25H26N2O6 and a molecular weight of 450.49 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl N-[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxybenzoyl]carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl N-[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxybenzoyl]carbamate
PubChem CID57050965
Molecular FormulaC25H26N2O6
Molecular Weight450.49 g/mol
Exact Mass450.18
IUPAC Name(4-methoxyphenyl)methyl N-[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxybenzoyl]carbamate
SMILESCOc1ccc(COC(=O)NC(=O)c2ccc(OCc3ccc(CN)cc3)c(OC)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(23(13-20)31-2)32-15-18-5-3-17(14-26)4-6-18/h3-13H,14-16,26H2,1-2H3,(H,27,28,29)
InChIKeyMIPCNACXGLWNLQ-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-[3-[[4-(aminomethyl)phenyl]methoxy]-4-methoxybenzoyl]carbamate
CID 57151569
2-[[3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]amino]acetic acid
CID 175227608
methyl 2-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]acetate
CID 134307216
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 4614010
N'-(4-ethoxybenzoyl)-3-methoxy-4-phenylmethoxybenzohydrazide
CID 9492724
[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxyphenyl]methanol
CID 107742818
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791
[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 60879812
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
N-carbamothioyl-4-[(3-fluorophenyl)methoxy]-3-methoxybenzamide
CID 132591188
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl N-[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxybenzoyl]carbamate?
The IUPAC name of (4-methoxyphenyl)methyl N-[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxybenzoyl]carbamate (CID 57050965) is (4-methoxyphenyl)methyl N-[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxybenzoyl]carbamate.
What is the SMILES notation for (4-methoxyphenyl)methyl N-[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxybenzoyl]carbamate?
The canonical SMILES for (4-methoxyphenyl)methyl N-[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxybenzoyl]carbamate is COc1ccc(COC(=O)NC(=O)c2ccc(OCc3ccc(CN)cc3)c(OC)c2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl N-[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxybenzoyl]carbamate?
The InChIKey is MIPCNACXGLWNLQ-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(23(13-20)31-2)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-[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxybenzoyl]carbamate?
(4-methoxyphenyl)methyl N-[4-[[4-(aminomethyl)phenyl]methoxy]-3-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-[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxybenzoyl]carbamate is sourced from PubChem (CID 57050965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).