N-[(Z,2S)-hex-4-en-2-yl]-N-[(1S)-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

C34H32NO2P — CID 143241818

IUPACN-[(Z,2S)-hex-4-en-2-yl]-N-[(1S)-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
SMILESC/C=C\C[C@H](C)N([C@@H](C)c1ccccc1)p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1
InChIInChI=1S/C34H32NO2P/c1-4-5-13-24(2)35(25(3)26-14-7-6-8-15-26)38-36-31-22-20-27-16-9-11-18-29(27)33(31)34-30-19-12-10-17-28(30)21-23-32(34)37-38/h4-12,14-25H,13H2,1-3H3/b5-4-/t24-,25-/m0/s1
InChIKeyBHTZUEXCPUGUJV-BNPWMUJRSA-N
MW517.61 g/mol
LogP10.65
Rot. Bonds6

About N-[(Z,2S)-hex-4-en-2-yl]-N-[(1S)-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

N-[(Z,2S)-hex-4-en-2-yl]-N-[(1S)-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 143241818) has the molecular formula C34H32NO2P and a molecular weight of 517.61 g/mol. Its IUPAC name is N-[(Z,2S)-hex-4-en-2-yl]-N-[(1S)-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 NameN-[(Z,2S)-hex-4-en-2-yl]-N-[(1S)-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 CID143241818
Molecular FormulaC34H32NO2P
Molecular Weight517.61 g/mol
Exact Mass517.22
IUPAC NameN-[(Z,2S)-hex-4-en-2-yl]-N-[(1S)-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
SMILESC/C=C\C[C@H](C)N([C@@H](C)c1ccccc1)p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1
InChIInChI=1S/C34H32NO2P/c1-4-5-13-24(2)35(25(3)26-14-7-6-8-15-26)38-36-31-22-20-27-16-9-11-18-29(27)33(31)34-30-19-12-10-17-28(30)21-23-32(34)37-38/h4-12,14-25H,13H2,1-3H3/b5-4-/t24-,25-/m0/s1
InChIKeyBHTZUEXCPUGUJV-BNPWMUJRSA-N
XLogP10.65
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.61
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(Z,2S)-hex-4-en-2-yl]-N-[(1S)-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 N-[(Z,2S)-hex-4-en-2-yl]-N-[(1S)-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 N-[(Z,2S)-hex-4-en-2-yl]-N-[(1S)-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 143241818) is N-[(Z,2S)-hex-4-en-2-yl]-N-[(1S)-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 N-[(Z,2S)-hex-4-en-2-yl]-N-[(1S)-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 N-[(Z,2S)-hex-4-en-2-yl]-N-[(1S)-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 C/C=C\C[C@H](C)N([C@@H](C)c1ccccc1)p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1.
What is the InChIKey of N-[(Z,2S)-hex-4-en-2-yl]-N-[(1S)-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 BHTZUEXCPUGUJV-BNPWMUJRSA-N. The full InChI is InChI=1S/C34H32NO2P/c1-4-5-13-24(2)35(25(3)26-14-7-6-8-15-26)38-36-31-22-20-27-16-9-11-18-29(27)33(31)34-30-19-12-10-17-28(30)21-23-32(34)37-38/h4-12,14-25H,13H2,1-3H3/b5-4-/t24-,25-/m0/s1.
What are the key properties of N-[(Z,2S)-hex-4-en-2-yl]-N-[(1S)-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?
N-[(Z,2S)-hex-4-en-2-yl]-N-[(1S)-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 517.61 g/mol, XLogP of 10.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,2S)-hex-4-en-2-yl]-N-[(1S)-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 143241818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).