4-amino-N-[2-[7-(4-cyclopropyloxycyclohexa-1,3-dien-1-yl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methoxy-5-(propyliminomethyl)benzamide;ethane;formaldehyde;methanamine

C35H51N5O5 — CID 164910658

About 4-amino-N-[2-[7-(4-cyclopropyloxycyclohexa-1,3-dien-1-yl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methoxy-5-(propyliminomethyl)benzamide;ethane;formaldehyde;methanamine

4-amino-N-[2-[7-(4-cyclopropyloxycyclohexa-1,3-dien-1-yl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methoxy-5-(propyliminomethyl)benzamide;ethane;formaldehyde;methanamine (PubChem CID 164910658) has the molecular formula C35H51N5O5 and a molecular weight of 621.82 g/mol. Its IUPAC name is 4-amino-N-[2-[7-(4-cyclopropyloxycyclohexa-1,3-dien-1-yl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methoxy-5-(propyliminomethyl)benzamide;ethane;formaldehyde;methanamine.

Molecular Properties

• Compound Name: 4-amino-N-[2-[7-(4-cyclopropyloxycyclohexa-1,3-dien-1-yl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methoxy-5-(propyliminomethyl)benzamide;ethane;formaldehyde;methanamine
• PubChem CID: 164910658
• Molecular Formula: C35H51N5O5
• Molecular Weight: 621.82 g/mol
• Exact Mass: 621.39
• IUPAC Name: 4-amino-N-[2-[7-(4-cyclopropyloxycyclohexa-1,3-dien-1-yl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methoxy-5-(propyliminomethyl)benzamide;ethane;formaldehyde;methanamine
• SMILES: C=O.CC.CCC/N=C/c1cc(C(=O)NCCc2cc3c(c(C4=CC=C(OC5CC5)CC4)n2)OCC3C)cc(OC)c1N.CN
• InChI: InChI=1S/C31H38N4O4.C2H6.CH5N.CH2O/c1-4-12-33-17-22-14-21(15-27(37-3)28(22)32)31(36)34-13-11-23-16-26-19(2)18-38-30(26)29(35-23)20-5-7-24(8-6-20)39-25-9-10-25;3*1-2/h5,7,14-17,19,25H,4,6,8-13,18,32H2,1-3H3,(H,34,36);1-2H3;2H2,1H3;1H2/b33-17+
• InChIKey: RWXIRIRAIBGJAD-VMQKDGLFSA-N
• XLogP: 5.63
• TPSA: 151.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	621.82
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[7-(4-cyclopropyloxycyclohexa-1,3-dien-1-yl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methoxy-5-(propyliminomethyl)benzamide;ethane;formaldehyde;methanamine?

The IUPAC name of 4-amino-N-[2-[7-(4-cyclopropyloxycyclohexa-1,3-dien-1-yl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methoxy-5-(propyliminomethyl)benzamide;ethane;formaldehyde;methanamine (CID 164910658) is 4-amino-N-[2-[7-(4-cyclopropyloxycyclohexa-1,3-dien-1-yl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methoxy-5-(propyliminomethyl)benzamide;ethane;formaldehyde;methanamine.

What is the SMILES notation for 4-amino-N-[2-[7-(4-cyclopropyloxycyclohexa-1,3-dien-1-yl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methoxy-5-(propyliminomethyl)benzamide;ethane;formaldehyde;methanamine?

The canonical SMILES for 4-amino-N-[2-[7-(4-cyclopropyloxycyclohexa-1,3-dien-1-yl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methoxy-5-(propyliminomethyl)benzamide;ethane;formaldehyde;methanamine is C=O.CC.CCC/N=C/c1cc(C(=O)NCCc2cc3c(c(C4=CC=C(OC5CC5)CC4)n2)OCC3C)cc(OC)c1N.CN.

What is the InChIKey of 4-amino-N-[2-[7-(4-cyclopropyloxycyclohexa-1,3-dien-1-yl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methoxy-5-(propyliminomethyl)benzamide;ethane;formaldehyde;methanamine?

The InChIKey is RWXIRIRAIBGJAD-VMQKDGLFSA-N. The full InChI is InChI=1S/C31H38N4O4.C2H6.CH5N.CH2O/c1-4-12-33-17-22-14-21(15-27(37-3)28(22)32)31(36)34-13-11-23-16-26-19(2)18-38-30(26)29(35-23)20-5-7-24(8-6-20)39-25-9-10-25;3*1-2/h5,7,14-17,19,25H,4,6,8-13,18,32H2,1-3H3,(H,34,36);1-2H3;2H2,1H3;1H2/b33-17+;;;.

What are the key properties of 4-amino-N-[2-[7-(4-cyclopropyloxycyclohexa-1,3-dien-1-yl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methoxy-5-(propyliminomethyl)benzamide;ethane;formaldehyde;methanamine?

4-amino-N-[2-[7-(4-cyclopropyloxycyclohexa-1,3-dien-1-yl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methoxy-5-(propyliminomethyl)benzamide;ethane;formaldehyde;methanamine has a molecular weight of 621.82 g/mol, XLogP of 5.63, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-[2-[7-(4-cyclopropyloxycyclohexa-1,3-dien-1-yl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methoxy-5-(propyliminomethyl)benzamide;ethane;formaldehyde;methanamine is sourced from PubChem (CID 164910658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).