N-[(6Z)-7-(azetidin-3-yloxy)cyclonona-1,6,8-trien-1-yl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide

C30H34N4O2 — CID 175624037

IUPACN-[(6Z)-7-(azetidin-3-yloxy)cyclonona-1,6,8-trien-1-yl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide
SMILESC[C@H](CNC(C(=O)NC1=CCCC/C=C(\OC2CNC2)C=C1)c1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C30H34N4O2/c1-22(24-14-12-23(18-31)13-15-24)19-33-29(25-8-4-2-5-9-25)30(35)34-26-10-6-3-7-11-27(17-16-26)36-28-20-32-21-28/h2,4-5,8-17,22,28-29,32-33H,3,6-7,19-21H2,1H3,(H,34,35)/b17-16?,26-10?,27-11-/t22-,29?/m1/s1
InChIKeyQRAZESIZVMFGEY-LENCKEHKSA-N
MW482.63 g/mol
LogP4.61
Rot. Bonds9

About N-[(6Z)-7-(azetidin-3-yloxy)cyclonona-1,6,8-trien-1-yl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide

N-[(6Z)-7-(azetidin-3-yloxy)cyclonona-1,6,8-trien-1-yl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide (PubChem CID 175624037) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is N-[(6Z)-7-(azetidin-3-yloxy)cyclonona-1,6,8-trien-1-yl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(6Z)-7-(azetidin-3-yloxy)cyclonona-1,6,8-trien-1-yl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide
PubChem CID175624037
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC NameN-[(6Z)-7-(azetidin-3-yloxy)cyclonona-1,6,8-trien-1-yl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide
SMILESC[C@H](CNC(C(=O)NC1=CCCC/C=C(\OC2CNC2)C=C1)c1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C30H34N4O2/c1-22(24-14-12-23(18-31)13-15-24)19-33-29(25-8-4-2-5-9-25)30(35)34-26-10-6-3-7-11-27(17-16-26)36-28-20-32-21-28/h2,4-5,8-17,22,28-29,32-33H,3,6-7,19-21H2,1H3,(H,34,35)/b17-16?,26-10?,27-11-/t22-,29?/m1/s1
InChIKeyQRAZESIZVMFGEY-LENCKEHKSA-N
XLogP4.61
TPSA86.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(6Z)-7-(azetidin-3-yloxy)cyclonona-1,6,8-trien-1-yl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide
CID 164756425
(2S)-2-[2-(4-cyanophenyl)propylamino]-N-[5-[1-(cyclopropanecarbonyl)azetidin-3-yl]oxy-2-pyridinyl]-2-phenylacetamide
CID 175623239
(2S)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-(2,4-dimethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide
CID 164515098
N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-phenylacetamide;4-[1-(methylamino)propan-2-yl]benzonitrile
CID 154694158
(2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-phenylacetamide
CID 164515086
(2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-(6-methylpyridazin-3-yl)-2-pyridinyl]-2-phenylacetamide
CID 164515065
(2S)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-(2,4-dimethyl-5-oxopiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide
CID 164515094
2-[2-(4-cyanophenyl)propylamino]-N-[5-(3-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide
CID 139426448
(2S)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide
CID 139425922
N-[5-(1-acetylpiperidin-3-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetamide
CID 175622897
2-(4-cyanophenoxy)-N-(2-phenylpropyl)acetamide
CID 16540648
cyclopentyl N-(2-phenylpropyl)carbamate
CID 59093438

Frequently Asked Questions

What is the IUPAC name of N-[(6Z)-7-(azetidin-3-yloxy)cyclonona-1,6,8-trien-1-yl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide?
The IUPAC name of N-[(6Z)-7-(azetidin-3-yloxy)cyclonona-1,6,8-trien-1-yl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide (CID 175624037) is N-[(6Z)-7-(azetidin-3-yloxy)cyclonona-1,6,8-trien-1-yl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide.
What is the SMILES notation for N-[(6Z)-7-(azetidin-3-yloxy)cyclonona-1,6,8-trien-1-yl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide?
The canonical SMILES for N-[(6Z)-7-(azetidin-3-yloxy)cyclonona-1,6,8-trien-1-yl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide is C[C@H](CNC(C(=O)NC1=CCCC/C=C(\OC2CNC2)C=C1)c1ccccc1)c1ccc(C#N)cc1.
What is the InChIKey of N-[(6Z)-7-(azetidin-3-yloxy)cyclonona-1,6,8-trien-1-yl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide?
The InChIKey is QRAZESIZVMFGEY-LENCKEHKSA-N. The full InChI is InChI=1S/C30H34N4O2/c1-22(24-14-12-23(18-31)13-15-24)19-33-29(25-8-4-2-5-9-25)30(35)34-26-10-6-3-7-11-27(17-16-26)36-28-20-32-21-28/h2,4-5,8-17,22,28-29,32-33H,3,6-7,19-21H2,1H3,(H,34,35)/b17-16?,26-10?,27-11-/t22-,29?/m1/s1.
What are the key properties of N-[(6Z)-7-(azetidin-3-yloxy)cyclonona-1,6,8-trien-1-yl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide?
N-[(6Z)-7-(azetidin-3-yloxy)cyclonona-1,6,8-trien-1-yl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide has a molecular weight of 482.63 g/mol, XLogP of 4.61, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6Z)-7-(azetidin-3-yloxy)cyclonona-1,6,8-trien-1-yl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide is sourced from PubChem (CID 175624037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).