10,16-dimethyl-N-(naphthalen-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine

C33H26NO2P — CID 11306586

About 10,16-dimethyl-N-(naphthalen-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine

10,16-dimethyl-N-(naphthalen-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine (PubChem CID 11306586) has the molecular formula C33H26NO2P and a molecular weight of 499.55 g/mol. Its IUPAC name is 10,16-dimethyl-N-(naphthalen-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine.

Molecular Properties

• Compound Name: 10,16-dimethyl-N-(naphthalen-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
• PubChem CID: 11306586
• Molecular Formula: C33H26NO2P
• Molecular Weight: 499.55 g/mol
• Exact Mass: 499.17
• IUPAC Name: 10,16-dimethyl-N-(naphthalen-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
• SMILES: Cc1cc2ccccc2c2c1op(NCc1cccc3ccccc13)oc1c(C)cc3ccccc3c12
• InChI: InChI=1S/C33H26NO2P/c1-21-18-24-11-4-7-16-28(24)30-31-29-17-8-5-12-25(29)19-22(2)33(31)36-37(35-32(21)30)34-20-26-14-9-13-23-10-3-6-15-27(23)26/h3-19,34H,20H2,1-2H3
• InChIKey: VATZBYPJCGRAPN-UHFFFAOYSA-N
• XLogP: 10.11
• TPSA: 38.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.55
LogP ≤ 5	10.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 10,16-dimethyl-N-(naphthalen-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine?

The IUPAC name of 10,16-dimethyl-N-(naphthalen-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine (CID 11306586) is 10,16-dimethyl-N-(naphthalen-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine.

What is the SMILES notation for 10,16-dimethyl-N-(naphthalen-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine?

The canonical SMILES for 10,16-dimethyl-N-(naphthalen-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine is Cc1cc2ccccc2c2c1op(NCc1cccc3ccccc13)oc1c(C)cc3ccccc3c12.

What is the InChIKey of 10,16-dimethyl-N-(naphthalen-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine?

The InChIKey is VATZBYPJCGRAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26NO2P/c1-21-18-24-11-4-7-16-28(24)30-31-29-17-8-5-12-25(29)19-22(2)33(31)36-37(35-32(21)30)34-20-26-14-9-13-23-10-3-6-15-27(23)26/h3-19,34H,20H2,1-2H3.

What are the key properties of 10,16-dimethyl-N-(naphthalen-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine?

10,16-dimethyl-N-(naphthalen-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine has a molecular weight of 499.55 g/mol, XLogP of 10.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10,16-dimethyl-N-(naphthalen-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine is sourced from PubChem (CID 11306586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).