(14S)-16-amino-10,14-dicyclohexyl-2-oxa-10,15,17-triazatetracyclo[13.5.3.13,7.018,22]tetracosa-1(21),3,5,7(24),16,18(22),19-heptaen-11-one

C32H42N4O2 — CID 24745770

IUPAC(14S)-16-amino-10,14-dicyclohexyl-2-oxa-10,15,17-triazatetracyclo[13.5.3.13,7.018,22]tetracosa-1(21),3,5,7(24),16,18(22),19-heptaen-11-one
SMILESNC1=Nc2ccc3cc2CN1[C@H](C1CCCCC1)CCC(=O)N(C1CCCCC1)CCc1cccc(c1)O3
InChIInChI=1S/C32H42N4O2/c33-32-34-29-15-14-28-21-25(29)22-36(32)30(24-9-3-1-4-10-24)16-17-31(37)35(26-11-5-2-6-12-26)19-18-23-8-7-13-27(20-23)38-28/h7-8,13-15,20-21,24,26,30H,1-6,9-12,16-19,22H2,(H2,33,34)/t30-/m0/s1
InChIKeyHNSGYYUNOLLOAJ-PMERELPUSA-N
MW514.71 g/mol
LogP6.69
Rot. Bonds2

About (14S)-16-amino-10,14-dicyclohexyl-2-oxa-10,15,17-triazatetracyclo[13.5.3.13,7.018,22]tetracosa-1(21),3,5,7(24),16,18(22),19-heptaen-11-one

(14S)-16-amino-10,14-dicyclohexyl-2-oxa-10,15,17-triazatetracyclo[13.5.3.13,7.018,22]tetracosa-1(21),3,5,7(24),16,18(22),19-heptaen-11-one (PubChem CID 24745770) has the molecular formula C32H42N4O2 and a molecular weight of 514.71 g/mol. Its IUPAC name is (14S)-16-amino-10,14-dicyclohexyl-2-oxa-10,15,17-triazatetracyclo[13.5.3.13,7.018,22]tetracosa-1(21),3,5,7(24),16,18(22),19-heptaen-11-one.

Molecular Properties

Compound Name(14S)-16-amino-10,14-dicyclohexyl-2-oxa-10,15,17-triazatetracyclo[13.5.3.13,7.018,22]tetracosa-1(21),3,5,7(24),16,18(22),19-heptaen-11-one
PubChem CID24745770
Molecular FormulaC32H42N4O2
Molecular Weight514.71 g/mol
Exact Mass514.33
IUPAC Name(14S)-16-amino-10,14-dicyclohexyl-2-oxa-10,15,17-triazatetracyclo[13.5.3.13,7.018,22]tetracosa-1(21),3,5,7(24),16,18(22),19-heptaen-11-one
SMILESNC1=Nc2ccc3cc2CN1[C@H](C1CCCCC1)CCC(=O)N(C1CCCCC1)CCc1cccc(c1)O3
InChIInChI=1S/C32H42N4O2/c33-32-34-29-15-14-28-21-25(29)22-36(32)30(24-9-3-1-4-10-24)16-17-31(37)35(26-11-5-2-6-12-26)19-18-23-8-7-13-27(20-23)38-28/h7-8,13-15,20-21,24,26,30H,1-6,9-12,16-19,22H2,(H2,33,34)/t30-/m0/s1
InChIKeyHNSGYYUNOLLOAJ-PMERELPUSA-N
XLogP6.69
TPSA71.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.71
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (14S)-16-amino-10,14-dicyclohexyl-2-oxa-10,15,17-triazatetracyclo[13.5.3.13,7.018,22]tetracosa-1(21),3,5,7(24),16,18(22),19-heptaen-11-one 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 (14S)-16-amino-10,14-dicyclohexyl-2-oxa-10,15,17-triazatetracyclo[13.5.3.13,7.018,22]tetracosa-1(21),3,5,7(24),16,18(22),19-heptaen-11-one?
The IUPAC name of (14S)-16-amino-10,14-dicyclohexyl-2-oxa-10,15,17-triazatetracyclo[13.5.3.13,7.018,22]tetracosa-1(21),3,5,7(24),16,18(22),19-heptaen-11-one (CID 24745770) is (14S)-16-amino-10,14-dicyclohexyl-2-oxa-10,15,17-triazatetracyclo[13.5.3.13,7.018,22]tetracosa-1(21),3,5,7(24),16,18(22),19-heptaen-11-one.
What is the SMILES notation for (14S)-16-amino-10,14-dicyclohexyl-2-oxa-10,15,17-triazatetracyclo[13.5.3.13,7.018,22]tetracosa-1(21),3,5,7(24),16,18(22),19-heptaen-11-one?
The canonical SMILES for (14S)-16-amino-10,14-dicyclohexyl-2-oxa-10,15,17-triazatetracyclo[13.5.3.13,7.018,22]tetracosa-1(21),3,5,7(24),16,18(22),19-heptaen-11-one is NC1=Nc2ccc3cc2CN1[C@H](C1CCCCC1)CCC(=O)N(C1CCCCC1)CCc1cccc(c1)O3.
What is the InChIKey of (14S)-16-amino-10,14-dicyclohexyl-2-oxa-10,15,17-triazatetracyclo[13.5.3.13,7.018,22]tetracosa-1(21),3,5,7(24),16,18(22),19-heptaen-11-one?
The InChIKey is HNSGYYUNOLLOAJ-PMERELPUSA-N. The full InChI is InChI=1S/C32H42N4O2/c33-32-34-29-15-14-28-21-25(29)22-36(32)30(24-9-3-1-4-10-24)16-17-31(37)35(26-11-5-2-6-12-26)19-18-23-8-7-13-27(20-23)38-28/h7-8,13-15,20-21,24,26,30H,1-6,9-12,16-19,22H2,(H2,33,34)/t30-/m0/s1.
What are the key properties of (14S)-16-amino-10,14-dicyclohexyl-2-oxa-10,15,17-triazatetracyclo[13.5.3.13,7.018,22]tetracosa-1(21),3,5,7(24),16,18(22),19-heptaen-11-one?
(14S)-16-amino-10,14-dicyclohexyl-2-oxa-10,15,17-triazatetracyclo[13.5.3.13,7.018,22]tetracosa-1(21),3,5,7(24),16,18(22),19-heptaen-11-one has a molecular weight of 514.71 g/mol, XLogP of 6.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (14S)-16-amino-10,14-dicyclohexyl-2-oxa-10,15,17-triazatetracyclo[13.5.3.13,7.018,22]tetracosa-1(21),3,5,7(24),16,18(22),19-heptaen-11-one is sourced from PubChem (CID 24745770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).