1-cyclopropylethyl N-[4-[3-amino-1-(cyclopropylmethyl)-6-[2-(1,3-dihydrotetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate

C27H33N7O3 — CID 91342549

About 1-cyclopropylethyl N-[4-[3-amino-1-(cyclopropylmethyl)-6-[2-(1,3-dihydrotetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate

1-cyclopropylethyl N-[4-[3-amino-1-(cyclopropylmethyl)-6-[2-(1,3-dihydrotetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate (PubChem CID 91342549) has the molecular formula C27H33N7O3 and a molecular weight of 503.61 g/mol. Its IUPAC name is 1-cyclopropylethyl N-[4-[3-amino-1-(cyclopropylmethyl)-6-[2-(1,3-dihydrotetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: 1-cyclopropylethyl N-[4-[3-amino-1-(cyclopropylmethyl)-6-[2-(1,3-dihydrotetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate
• PubChem CID: 91342549
• Molecular Formula: C27H33N7O3
• Molecular Weight: 503.61 g/mol
• Exact Mass: 503.26
• IUPAC Name: 1-cyclopropylethyl N-[4-[3-amino-1-(cyclopropylmethyl)-6-[2-(1,3-dihydrotetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate
• SMILES: CC(OC(=O)Nc1ccc(-c2c(N)c3ccc(OCCN4NC=NN4)cc3n2CC2CC2)cc1)C1CC1
• InChI: InChI=1S/C27H33N7O3/c1-17(19-4-5-19)37-27(35)31-21-8-6-20(7-9-21)26-25(28)23-11-10-22(36-13-12-34-30-16-29-32-34)14-24(23)33(26)15-18-2-3-18/h6-11,14,16-19,32H,2-5,12-13,15,28H2,1H3,(H,29,30)(H,31,35)
• InChIKey: FKFSFNAYVMGLBQ-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 118.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.61
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylethyl N-[4-[3-amino-1-(cyclopropylmethyl)-6-[2-(1,3-dihydrotetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate?

The IUPAC name of 1-cyclopropylethyl N-[4-[3-amino-1-(cyclopropylmethyl)-6-[2-(1,3-dihydrotetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate (CID 91342549) is 1-cyclopropylethyl N-[4-[3-amino-1-(cyclopropylmethyl)-6-[2-(1,3-dihydrotetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate.

What is the SMILES notation for 1-cyclopropylethyl N-[4-[3-amino-1-(cyclopropylmethyl)-6-[2-(1,3-dihydrotetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate?

The canonical SMILES for 1-cyclopropylethyl N-[4-[3-amino-1-(cyclopropylmethyl)-6-[2-(1,3-dihydrotetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate is CC(OC(=O)Nc1ccc(-c2c(N)c3ccc(OCCN4NC=NN4)cc3n2CC2CC2)cc1)C1CC1.

What is the InChIKey of 1-cyclopropylethyl N-[4-[3-amino-1-(cyclopropylmethyl)-6-[2-(1,3-dihydrotetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate?

The InChIKey is FKFSFNAYVMGLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O3/c1-17(19-4-5-19)37-27(35)31-21-8-6-20(7-9-21)26-25(28)23-11-10-22(36-13-12-34-30-16-29-32-34)14-24(23)33(26)15-18-2-3-18/h6-11,14,16-19,32H,2-5,12-13,15,28H2,1H3,(H,29,30)(H,31,35).

What are the key properties of 1-cyclopropylethyl N-[4-[3-amino-1-(cyclopropylmethyl)-6-[2-(1,3-dihydrotetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate?

1-cyclopropylethyl N-[4-[3-amino-1-(cyclopropylmethyl)-6-[2-(1,3-dihydrotetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate has a molecular weight of 503.61 g/mol, XLogP of 4.29, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropylethyl N-[4-[3-amino-1-(cyclopropylmethyl)-6-[2-(1,3-dihydrotetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 91342549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).