10,16-dimethyl-N,N-bis[(1R)-1-phenylethyl]-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

C38H34NO2P — CID 11342076

IUPAC10,16-dimethyl-N,N-bis[(1R)-1-phenylethyl]-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
SMILESCc1cc2ccccc2c2c1op(N([C@H](C)c1ccccc1)[C@H](C)c1ccccc1)oc1c(C)cc3ccccc3c12
InChIInChI=1S/C38H34NO2P/c1-25-23-31-19-11-13-21-33(31)35-36-34-22-14-12-20-32(34)24-26(2)38(36)41-42(40-37(25)35)39(27(3)29-15-7-5-8-16-29)28(4)30-17-9-6-10-18-30/h5-24,27-28H,1-4H3/t27-,28-/m1/s1
InChIKeyOMAJFQDTQQIPJW-VSGBNLITSA-N
MW567.67 g/mol
LogP11.67
Rot. Bonds5

About 10,16-dimethyl-N,N-bis[(1R)-1-phenylethyl]-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,N-bis[(1R)-1-phenylethyl]-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 11342076) has the molecular formula C38H34NO2P and a molecular weight of 567.67 g/mol. Its IUPAC name is 10,16-dimethyl-N,N-bis[(1R)-1-phenylethyl]-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 Name10,16-dimethyl-N,N-bis[(1R)-1-phenylethyl]-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 CID11342076
Molecular FormulaC38H34NO2P
Molecular Weight567.67 g/mol
Exact Mass567.23
IUPAC Name10,16-dimethyl-N,N-bis[(1R)-1-phenylethyl]-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
SMILESCc1cc2ccccc2c2c1op(N([C@H](C)c1ccccc1)[C@H](C)c1ccccc1)oc1c(C)cc3ccccc3c12
InChIInChI=1S/C38H34NO2P/c1-25-23-31-19-11-13-21-33(31)35-36-34-22-14-12-20-32(34)24-26(2)38(36)41-42(40-37(25)35)39(27(3)29-15-7-5-8-16-29)28(4)30-17-9-6-10-18-30/h5-24,27-28H,1-4H3/t27-,28-/m1/s1
InChIKeyOMAJFQDTQQIPJW-VSGBNLITSA-N
XLogP11.67
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.67
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10,16-dimethyl-N,N-bis[(1R)-1-phenylethyl]-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10,16-dimethyl-N,N-bis[(1R)-1-phenylethyl]-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,N-bis[(1R)-1-phenylethyl]-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 11342076) is 10,16-dimethyl-N,N-bis[(1R)-1-phenylethyl]-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,N-bis[(1R)-1-phenylethyl]-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,N-bis[(1R)-1-phenylethyl]-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(N([C@H](C)c1ccccc1)[C@H](C)c1ccccc1)oc1c(C)cc3ccccc3c12.
What is the InChIKey of 10,16-dimethyl-N,N-bis[(1R)-1-phenylethyl]-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 OMAJFQDTQQIPJW-VSGBNLITSA-N. The full InChI is InChI=1S/C38H34NO2P/c1-25-23-31-19-11-13-21-33(31)35-36-34-22-14-12-20-32(34)24-26(2)38(36)41-42(40-37(25)35)39(27(3)29-15-7-5-8-16-29)28(4)30-17-9-6-10-18-30/h5-24,27-28H,1-4H3/t27-,28-/m1/s1.
What are the key properties of 10,16-dimethyl-N,N-bis[(1R)-1-phenylethyl]-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,N-bis[(1R)-1-phenylethyl]-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 567.67 g/mol, XLogP of 11.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,16-dimethyl-N,N-bis[(1R)-1-phenylethyl]-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 11342076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).